(1S,3S)-3-Aminocyclohexanol

Base Information

Chemical Name:(1S,3S)-3-Aminocyclohexanol
CAS No.:721884-81-7
Molecular Formula:C6H13NO
Molecular Weight:115.175
Hs Code.:
UNII:5DCL8U9LAL
Nikkaji Number:J2.051.711E
Mol file:721884-81-7.mol

Synonyms:(1S,3S)-3-AMINOCYCLOHEXANOL;721884-81-7;(1S,3S)-3-Amino-cyclohexanol;(1S,3S)-3-aminocyclohexan-1-ol;trans-3-aminocyclohexanol;5DCL8U9LAL;Cyclohexanol, 3-amino-, (1S,3S)-;3-Aminocyclohexanol, (1S,3S)-;(+)-(1S,3S)-3-Aminocyclohexanol;3-Aminocyclohexanol, trans-(1S,3S);40525-77-7;UNII-5DCL8U9LAL;SCHEMBL5749283;NIQIPYGXPZUDDP-WDSKDSINSA-N;MFCD19237885;AKOS006338624;AM90267;AS-47024;CS-0136925;F11499;J-500463

Suppliers and Price of (1S,3S)-3-Aminocyclohexanol

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

J&W Pharmlab
(1S,3S)-3-Amino-cyclohexanol 96%
100mg
$ 285.00

J&W Pharmlab
(1S,3S)-3-Amino-cyclohexanol 96%
50mg
$ 193.00

J&W Pharmlab
(1S,3S)-3-Amino-cyclohexanol 96%
1g
$ 1580.00

J&W Pharmlab
(1S,3S)-3-Amino-cyclohexanol 96%
250mg
$ 470.00

Crysdot
(1S,3S)-3-Aminocyclohexanol 97%
1g
$ 470.00

Total 19 raw suppliers

Chemical Property of (1S,3S)-3-Aminocyclohexanol

Chemical Property:

Melting Point:70.6-70.9 °C
Boiling Point:201.1±33.0 °C(Predicted)
PKA:15.09±0.40(Predicted)
PSA：46.25000
Density:1.037±0.06 g/cm3(Predicted)
LogP:0.94890
Storage Temp.:Keep in dark place,Inert atmosphere,Room temperature
XLogP3:-0.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:0
Exact Mass:115.099714038
Heavy Atom Count:8
Complexity:74.9

Purity/Quality:

97% ^*data from raw suppliers

(1S,3S)-3-Amino-cyclohexanol 96% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1CC(CC(C1)O)N
Isomeric SMILES:C1C[C@@H](C[C@H](C1)O)N

Technology Process of (1S,3S)-3-Aminocyclohexanol

There total 9 articles about (1S,3S)-3-Aminocyclohexanol which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 99.0%

: 750649-39-9,750649-44-6
((1S,3S)-3-hydroxycyclohexyl)carbamic acid benzyl ester

: 721884-81-7
(1S,3S)-3-aminocyclohexanol

Guidance literature:: With palladium on activated charcoal; hydrogen; In ethanol; at 20 ℃; for 10h;
DOI:10.1021/op1002424

Reference yield: 73.3%

: 1257303-70-0
(1S,3S)-(3-hydroxycyclohexyl)ammonium (R)-mandelate

: 721884-81-7
(1S,3S)-3-aminocyclohexanol

Guidance literature:: (1S,3S)-(3-hydroxycyclohexyl)ammonium (R)-mandelate; In methanol; Inert atmosphere; Ion-exchange chromatography;

With ammonia; In methanol; Ion-exchange chromatography;
DOI:10.1021/op1002424

Reference yield:

: 6850-39-1
3-aminocyclohexanol

: 721884-81-7
(1S,3S)-3-aminocyclohexanol

Guidance literature:: Multi-step reaction with 3 steps

1.1: 17 percent / NaOH / H₂O / 3 h / 20 °C

2.1: 75 percent / Et₃N / tetrahydrofuran

3.1: Novozyme(R) 435 from Candida antarctica B / ethanol; toluene / 120 h / 18 - 22 °C

3.2: LiAlH₄ / tetrahydrofuran / 72 h / Heating

3.3: H₂ / Pd/C / ethanol / 16 h / 760 Torr

With sodium hydroxide; Novozyme(R) 435 from Candida antarctica B; triethylamine; In tetrahydrofuran; ethanol; water; toluene;
DOI:10.1016/j.tetasy.2004.03.034