名称和标识符别名信息物化性质安全信息海关数据合成路线相关文献专业数据库参考参考资料 MSDS 相关分类

(1R,2R)-(-)-2-氨基环己醇 | 931-16-8

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中文名称： (1R,2R)-(-)-2-氨基环己醇

英文名称： (1R,2R)-2-aminocyclohexan-1-ol

CAS No.： 931-16-8

分子式： C₆H₁₃NO

分子量： 115.173521757126

如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击： (1R,2R)-(-)-2-氨基环己醇结构式

下载该化合物MOL文件： (1R,2R)-(-)-2-氨基环己醇MOL

PubChem CID： 735777

快速询单

(1R,2R)-(-)-2-氨基环己醇的其他展现形式

相关化合物

(1R,2R)-(-)-2-氨基环己醇

2-Aminocyclohexanol

CAS No.： 6850-38-0
(1R,2R)-(-)-2-氨基环己醇

(1S,2S)-2-Aminocyclohexanol

CAS No.： 74111-21-0
反式-2-氨基环戊烷醇

Cyclopentanol,2-amino-, (1R,2R)-rel-

CAS No.： 59260-76-3
(1s,2s)-2-氨基-环庚醇

2-amino-(1S,2S)-Cycloheptanol,

CAS No.： 145166-04-7
(1R,2S)-2-氨基环戊醇

(1R,2S)-2-Aminocyclopentanol

CAS No.： 260065-85-8
(1R,2R)-2-氨基-环庚醇

trans-2-amino-cycloheptanol

CAS No.： 260065-70-1

名称和标识符

MDL	MFCD08061325
InChIKey	PQMCFTMVQORYJC-PHDIDXHHSA-N
Inchi	1S/C6H13NO/c7-5-3-1-2-4-6(5)8/h5-6,8H,1-4,7H2/t5-,6-/m1/s1
SMILES	O[C@@H]1CCCC[C@H]1N

别名信息

- 中文别名 -

(1R,2R)-(-)-2-氨基环己醇
(1R,2R)-2-氨环己醇
(1R,2R)-(-)-2-氨基环己醇盐酸盐
(1R,2R)-2-氨基环己醇
2-(Boc-氨基)-2-甲基-1-丙醇

N-CBZ-3-羟基吡咯烷
1R,2R-氨基环己醇盐酸盐

- 英文别名 -

(1R,2R)-2-Aminocyclohexanol
(1R,2R)-(-)-2-Aminocyclohenanol
(R)-2-Aminocyclohenanol
(1R,2R)-2-AMinocyclohexan-1-ol
1R,2R-2-Aminocyclohenanol hydrochloride

R-ACN
(R)-2-Aminocyclohexanol R-Acn
(1R, 2R)-2-Aminocyclohexanol
trans-2-Aminocyclohexanol
trans-2-Amino-cyclohexanol
Cyclohexanol, 2-amino-, (1R,2R)-
(1R,2R)-2-aminocylohexanol
Cyclohexanol, 2-amino-, (1R,2R)-rel-
(1R,2R)-2-amino-1-cyclohexanol
(1R,2R)-2-Aminocylohexanol HCl
trans-2-Aminocyclohexanol hydrochloride
rel-(1R,2R)-2-aminocyclohexanol
PubChem19553
trans 2-aminocyclohexanol
(trans)-2-amino-cyclohexanol
trans-2-hydroxy-cyclohexylamine
(1R,2R)-2-Aminocyclohexanol (ACI)
Cyclohexanol, 2-amino-, (1R-trans)- (ZCI)
(1R,2R)-2-Amino-1-cyclohexanol
(1R,2R)-2-Aminocyclohexan-1-ol
(1R,2R)-trans-2-Aminocyclohexanol
[(1R,2R)-2-Hydroxycyclohexyl]amine
(1R,2R)-2-aminocyclohexan-1-ol
A844451
DTXSID201310006
J-524992
AM62781
rel-(1R,2R)-2-Aminocyclohexan-1-ol
6982-39-4
Specs an-907/25060015
rac-(1R,2R)-2-aminocyclohexan-1-ol
CS-W003455
PQMCFTMVQORYJC-PHDIDXHHSA-N
MFCD03427291
EN300-261568
((1R,2R)-2-hydroxy-cyclohexyl)-amine
trans-(+/-)-2-aminocyclohexanol
(1RS,2R)-2-aminocyclohexan-1-ol
AS-83222
931-16-8
(1R,2R)-2-amino-cyclohexanol
(R)-2-aminocyclohexanol, AldrichCPR
MFCD08061325
SCHEMBL213812
EN300-140308
(1R,2R)-2-amino cyclohexanol
DS-17200
racemic trans-2-aminocyclohexanol
(+/-)-trans-2-Aminocyclohexanol
(1R,2R)-2-hydroxy-cyclohexylamine
AKOS015854171
(1R,2R)-(-)-2-aminocyclohexanol

物化性质

实验特性

LogP	0.94890
PSA	46.25000
折射率	1.503
沸点	201.1°C at 760 mmHg
闪点	75.434ºC
密度	1.037 g/cm3

计算特性

精确分子量	115.10000
氢键供体数量	2
氢键受体数量	2
可旋转化学键数量	0
同位素质量	115.1
重原子数量	8
复杂度	74.9
同位素原子数量	0
确定原子立构中心数量	2
不确定原子立构中心数量	0
确定化学键立构中心数量	0
不确定化学键立构中心数量	0
共价键单元数量	1
疏水参数计算参考值（XlogP）	-0.1
拓扑分子极性表面积	46.2

安全信息

安全说明	26-41
危险品标志	Xn
危害声明	H302-H315-H319-H332-H335
储存条件	Keep in dark place,Inert atmosphere,2-8°C
危险类别码	22-41

海关数据

海关编码	2922199090
海关数据	中国海关编码： 2922199090 概述： 2922199090. 其他氨基醇及其醚，酯和它们的盐（但含一种以上含氧基的除外）. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:30.0% 申报要素：品名, 成分含量, 用途, 乙醇胺及其盐应报明色度, 乙醇胺及其盐应报明包装 Summary： 2922199090. other amino-alcohols, other than those containing more than one kind of oxygen function, their ethers and esters; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

海关编码

2922199090

海关数据

中国海关编码：

2922199090

概述：

2922199090. 其他氨基醇及其醚，酯和它们的盐（但含一种以上含氧基的除外）. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:30.0%

申报要素：

品名, 成分含量, 用途, 乙醇胺及其盐应报明色度, 乙醇胺及其盐应报明包装

Summary：

2922199090. other amino-alcohols, other than those containing more than one kind of oxygen function, their ethers and esters; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

合成路线

合成路线：1 步

139753-27-8

_61%

931-16-8

反应条件：

1.1 Reagents: Sodium hydroxide , Hydrochloric acid , Hydrogen peroxide , Diborane

参考文献：

Synthesis and reactions of organic compounds with nitrogen atom. Part VIII. Action of diborane on some cyclic O-acetyl α,β-unsaturated aldo- and ketoximes

Przewoska-Ratajczak, Krystyna; Uzarewicz, Arkadiusz, Polish Journal of Chemistry, 1991, 65(5-6), 945-58

合成路线：1 步

286-20-4

931-16-8

反应条件：

1.1 Reagents: Phenyl carbamate Catalysts: stereoisomer of [μ-[(4aS,27aS,31aS,54aS)-9,23,36,50-Tetrakis(1,1-dimethylethyl)-… , Stereoisomer of [μ3-[(4aS,27aS,31aS,54aS,58aS,81aS)-9,23,36,50,63,77-hexakis(1,1… Solvents: Acetonitrile ; 48 h, 50 °C; 50 °C → rt
1.2 Solvents: Dichloromethane ; 1 h, rt
1.3 Reagents: Potassium hydroxide Solvents: Ethanol , Water ; 1 min, rt; 20 h, 85 °C; 85 °C → rt
1.4 Reagents: Potassium hydroxide Solvents: Water ; rt
1.5 Solvents: Toluene ; heated; rt; rt → 4 °C

参考文献：

A Practical Method for the Synthesis of Highly Enantioenriched trans-1,2-Amino Alcohols

Birrell, James A.; Jacobsen, Eric N., Organic Letters, 2013, 15(12), 2895-2897

合成路线：1 步

155975-19-2

_100%

931-16-8

反应条件：

1.1 Reagents: Trifluoroacetic acid Solvents: Dichloromethane

参考文献：

Hybrid Organo- and Biocatalytic Process for the Asymmetric Transformation of Alcohols into Amines in Aqueous Medium

Liardo, Elisa; Rios-Lombardia, Nicolas; Moris, Francisco; Rebolledo, Francisca; Gonzalez-Sabin, Javier, ACS Catalysis, 2017, 7(7), 4768-4774

合成路线：1 步

286-20-4

_90%

931-16-8

反应条件：

1.1 Reagents: Ammonia Solvents: Water

参考文献：

Synthesis of aminoalcohols from epoxides and ammonia

McManus, Samuel P.; Larson, Charles A.; Hearn, Richard A., Synthetic Communications, 1973, 3(3), 177-80

合成路线：1 步

110716-77-3

_96%

931-16-8

反应条件：

1.1 Reagents: Trifluoroacetic acid Solvents: Methanol ; 30 min
1.2 Reagents: Hydrogen Catalysts: Platinum dioxide ; 40 h, rt

参考文献：

Helix-Forming Propensity of Aliphatic Urea Oligomers Incorporating Noncanonical Residue Substitution Patterns

Pendem, Nagendar; Douat, Celine; Claudon, Paul; Laguerre, Michel; Castano, Sabine; et al, Journal of the American Chemical Society, 2013, 135(12), 4884-4892

合成路线：1 步

286-20-4

_92%

931-16-8

反应条件：

1.1 Reagents: Ammonia Solvents: Methanol , Water ; 0 - 5 °C; overnight, 35 - 40 °C

参考文献：

Preparation of tert-butyl ((1R,2S)-2-aminocyclohexyl)carbamate and benzyl ((1R,2S)-2-aminocyclohexyl)carbamate

, China, , ,

合成路线：1 步

286-18-0

_52%

931-16-8

反应条件：

1.1 Reagents: Perchloric acid Solvents: Water

参考文献：

Cyclohexenimine (7-azabicyclo[4.1.0]heptane) and the stereochemistry of ethylenimine ring-closure and opening

Paris, Olden E.; Fanta, Paul E., Journal of the American Chemical Society, 1952, 74, 3007-10

合成路线：1 步

110716-78-4

931-16-8

反应条件：

1.1 Reagents: Hydrogen Catalysts: Palladium Solvents: Ethanol

参考文献：

Asymmetric ring-opening of cyclohexene oxide with trimethylsilyl azide in the presence of titanium isopropoxide/chiral ligand

Emziane, M.; Sutowardoyo, K. I.; Sinou, D., Journal of Organometallic Chemistry, 1988, 346(1),

合成路线：1 步

134108-75-1

_88%

931-16-8

反应条件：

1.1 Reagents: Hydrochloric acid Solvents: Methanol

参考文献：

Opening of epoxides with trimethylsilyl cyanide to produce β-hydroxy isonitriles. A general synthesis of oxazolines and β-amino alcohols

Gassman, Paul G.; Guggenheim, Thomas L., Journal of the American Chemical Society, 1982, 104(21), 5849-50

合成路线：1 步

98462-58-9

_60%

931-16-8

反应条件：

1.1 Reagents: Hydrogen Catalysts: Palladium dihydroxide Solvents: Ethanol ; 12 h, 50 Pa

参考文献：

Efficient ring opening of aziridines with carboxylic acids

Kumar, Manoj; Gandhi, Shikha; Kalra, Swinderjeet Singh; Singh, Vinod K., Synthetic Communications, 2008, 38(10), 1527-1532

合成路线：1 步

98523-66-1

931-16-8

反应条件：

1.1 Reagents: Ammonium formate Catalysts: Palladium Solvents: Dimethylformamide

参考文献：

A convenient method for obtaining trans-2-aminocyclohexanol and trans-2-aminocyclopentanol in enantiomerically pure form

Overman, L. E.; Sugai, S., Journal of Organic Chemistry, 1985, 50(21), 4154-5

合成路线：1 步

931-16-8

参考文献：

Preparation of optically active trans-2-aminocyclohexanol

, World Intellectual Property Organization, , ,

合成路线：1 步

931-16-8

参考文献：

Method for producing optically active trans-2-aminocyclohexanol and derivative thereof

, World Intellectual Property Organization, , ,

合成路线：1 步

141553-09-5

_97%

931-16-8

反应条件：

1.1 Reagents: Hydrogen Catalysts: Palladium Solvents: Methanol ; 1 - 2 h, 3 atm, rt

参考文献：

An Improved And Efficient Process For The Scalable Preparation Of Optically Pure Trans-2-Aminocyclohexanols

Xue, Feng; Li, Chang-Gong; Zhu, Yong; Lou, Tian-Jun, Journal of Chemical Research, 2014, 38(5), 322-324

合成路线：1 步

141553-09-5

_97%

931-16-8

反应条件：

1.1 Reagents: Hydrogen Catalysts: Palladium Solvents: Methanol ; 2 h, rt

参考文献：

Resolution of Racemic 2-Aminocyclohexanol Derivatives and Their Application as Ligands in Asymmetric Catalysis

Schiffers, Ingo; Rantanen, Toni; Schmidt, Frank; Bergmans, Werner; Zani, Lorenzo; et al, Journal of Organic Chemistry, 2006, 71(6), 2320-2331

合成路线：1 步

141553-09-5

_90%

931-16-8

反应条件：

1.1 Reagents: Hydrogen Catalysts: Palladium Solvents: Methanol ; rt → 30 °C; 30 °C

参考文献：

Process for preparation of (1R,2R)-2-benzoxycyclohexanamine

, China, , ,

合成路线：1 步

110716-78-4

_86%

931-16-8

反应条件：

1.1 Reagents: Hydrogen Catalysts: Palladium Solvents: Methanol

参考文献：

Metal(II) d-tartrates catalyzed asymmetric ring opening of oxiranes with various nucleophiles

Yamashita, Hiroyuki, Bulletin of the Chemical Society of Japan, 1988, 61(4), 1213-20

合成路线：1 步

110716-78-4

_86%

931-16-8

反应条件：

1.1 Reagents: Hydrogen Catalysts: Palladium Solvents: Methanol

参考文献：

A new synthesis of optically active trans-β-amino alcohols by asymmetric ring-opening of symmetrical oxiranes

Yamashita, Hiroyuki, Chemistry Letters, 1987, (3), 525-8

合成路线：1 步

98462-58-9

_78%

931-16-8

反应条件：

1.1 Reagents: Hydrogen Catalysts: Palladium Solvents: Methanol

参考文献：

Application of new chiral auxiliaries, trans-2-(N-arylsulfonyl-N-benzyl)cyclohexanols, in an asymmetric radical cyclization

Nishida, A.; Shirato, F.; Nakagawa, M., Tetrahedron: Asymmetry, 2000, 11(18), 3789-3805

合成路线：1 步

216586-54-8

931-16-8

反应条件：

1.1 Reagents: Hydrazine hydrate (1:1) Solvents: Water ; 3 h, 60 °C

参考文献：

Cyclic trans-β-amino alcohols: preparation and enzymatic kinetic resolution

Rouf, Abdul; Gupta, Pankaj; Aga, Mushtaq A.; Kumar, Brijesh; Parshad, Rajinder; et al, Tetrahedron: Asymmetry, 2011, 22(24), 2134-2143

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专业数据库参考

PubChemId	735777

参考资料

Beilstein	R195900

(1R,2R)-(-)-2-氨基环己醇 MSDS

基础信息

Material Safety Data Sheet

Section 1. Identi?cation of the substance
Product Name: (1R,2R)-2-Aminocyclohexan-1-ol
Synonyms:

Section 2. Hazards identi?cation
Harmful by inhalation, in contact with skin, and if swallowed.

Section 3. Composition/information on ingredients.
Ingredient name: (1R,2R)-2-Aminocyclohexan-1-ol
CAS number: 931-16-8

Section 4. First aid measures
    Skin contact:        Immediately wash skin with copious amounts of water for at least 15 minutes while removing
    contaminated clothing and shoes. If irritation persists, seek medical attention.
    Eye contact:        Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate
    ?ushing of the eyes by separating the eyelids with ?ngers. If irritation persists, seek medical
    attention.
    Inhalation:        Remove to fresh air. In severe cases or if symptoms persist, seek medical attention.
    Ingestion:        Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.

Section 5. Fire ?ghting measures
    In the event of a ?re involving this material, alone or in combination with other materials, use dry
    powder or carbon dioxide extinguishers. Protective clothing and self-contained breathing apparatus
    should be worn.

Section 6. Accidental release measures
    Personal precautions: Wear suitable personal protective equipment which performs satisfactorily and meets local/state/national
    standards.
    Respiratory precaution:        Wear approved mask/respirator
    Hand precaution:        Wear suitable gloves/gauntlets
    Skin protection:        Wear suitable protective clothing
    Eye protection:        Wear suitable eye protection
    Methods for cleaning up: Mix with sand or similar inert absorbent material, sweep up and keep in a tightly closed container
    for disposal. See section 12.
    Environmental precautions: Do not allow material to enter drains or water courses.

Section 7. Handling and storage
    Handling:        This product should be handled only by, or under the close supervision of, those properly quali?ed
    in the handling and use of potentially hazardous chemicals, who should take into account the ?re,
    health and chemical hazard data given on this sheet.
    Store in closed vessels, refrigerated.
    Storage:

Section 8. Exposure Controls / Personal protection
    Engineering Controls: Use only in a chemical fume hood.
    Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles.
    General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse.

Section 9. Physical and chemical properties
    Appearance:        Not speci?ed
    Boiling point:        No data
    No data
    Melting point:
    Flash point:        No data
    Density:        No data
    Molecular formula:        C6H13NO
    Molecular weight:        115.2

Section 10. Stability and reactivity
    Conditions to avoid: Heat, ?ames and sparks.
    Materials to avoid: Oxidizing agents.
    Possible hazardous combustion products: Carbon monoxide, nitrogen oxides.

Section 11. Toxicological information
No data.

Section 12. Ecological information
No data.

Section 13. Disposal consideration
Arrange disposal as special waste, by licensed disposal company, in consultation with local waste
disposal authority, in accordance with national and regional regulations.

Section 14. Transportation information
Non-harzardous for air and ground transportation.

Section 15. Regulatory information
    No chemicals in this material are subject to the reporting requirements of SARA Title III, Section
    302, or have known CAS numbers that exceed the threshold reporting levels established by SARA
    Title III, Section 313.

SECTION 16 - ADDITIONAL INFORMATION
N/A

(1R,2R)-(-)-2-氨基环己醇 | 931-16-8

中国海关编码：

概述：

申报要素：

Summary：

合成路线：1 步

合成路线：1 步

合成路线：1 步

合成路线：1 步

合成路线：1 步

合成路线：1 步

合成路线：1 步

合成路线：1 步

合成路线：1 步

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合成路线：1 步

合成路线：1 步

合成路线：1 步

合成路线：1 步

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合成路线：1 步

合成路线：1 步

合成路线：1 步

合成路线：1 步

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