(S)-2-Amino-3-cyclohexylpropan-1-ol hydrochloride

Base Information

• Chemical Name: (S)-2-Amino-3-cyclohexylpropan-1-ol hydrochloride
• CAS No.: 117160-99-3
• Molecular Formula: C9H19 N O . Cl H
• Molecular Weight: 193.717
• Hs Code.: 2922199090
• European Community (EC) Number: 625-697-4
• DSSTox Substance ID: DTXSID80583700
• Mol file: 117160-99-3.mol

Synonyms:117160-99-3;(S)-2-Amino-3-cyclohexylpropan-1-ol hydrochloride;(S)-(+)-2-Amino-3-cyclohexyl-1-propanol hydrochloride;3-Cyclohexyl-L-alaninol;(S)-(+)-2-Amino-3-cyclohexyl-1-propanol HCl;(2S)-2-Amino-3-Cyclohexylpropan-1-Ol Hydrochloride;(2S)-2-amino-3-cyclohexylpropan-1-ol;hydrochloride;(2S)-2-AMINO-3-CYCLOHEXYL-1-PROPANOL HYDROCHLORIDE;H-Cha-ol.HCl;(S)-2-Amino-3-cyclohexylpropan-1-olhydrochloride;SCHEMBL629206;DTXSID80583700;MFCD04972349;AKOS016842438;AS-70494;CS-0207609;2-(S)-amino-3-cyclohexylpropanol hydrochloride;G22124;EN300-7403508;A893441;J-003522;(S)-(+)-2-Amino-3-cyclohexyl-1-propanol hydrochloride, 97%;(2S)-2-Amino-3-cyclohexylpropan-1-ol--hydrogen chloride (1/1);CYCLOHEXANEPROPANOL, B-AMINO-, HYDROCHLORIDE (1:1), (BS)-;Cyclohexanepropanol, beta-amino-, hydrochloride (1:1), (betaS)-

Chemical Property of (S)-2-Amino-3-cyclohexylpropan-1-ol hydrochloride

Chemical Property:

• Melting Point: 230 °C (dec.)(lit.)
• Boiling Point: 289.5°Cat760mmHg
• Flash Point: 128.9°C
• PSA: 46.25000
• Density: 0.97g/cm³
• LogP: 2.77870
• Storage Temp.: Sealed in dry,Room Temperature
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 193.1233420
• Heavy Atom Count: 12
• Complexity: 99.7

Purity/Quality:

98%,99%, ^*data from raw suppliers

(S)-(+)-2-Amino-3-cyclohexyl-1-propanol hydrochloride ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(CC1)CC(CO)N.Cl
• Isomeric SMILES: C1CCC(CC1)C[C@@H](CO)N.Cl
• Uses: Used in the synthesis of renin inhibitors.

Technology Process of (S)-2-Amino-3-cyclohexylpropan-1-ol hydrochloride

There total 6 articles about (S)-2-Amino-3-cyclohexylpropan-1-ol hydrochloride 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: 97.0%

L-Phenylalaninol (3182-95-4) → (2S)-2-amino-3-cyclohexylpropan-1-ol hydrochloride (117160-99-3)

Guidance literature:

With hydrogenchloride; 5% rhodium-on-charcoal; hydrogen; In isopropyl alcohol; at 60 ℃; for 24h; under 3345.86 Torr;

DOI:10.1021/op0200773

Reference yield: 75.0%

tert-butyl [(1S)-2-cyclohexyl-1-(hydroxymethyl)ethyl]carbamate (103322-56-1) → (2S)-2-amino-3-cyclohexylpropan-1-ol hydrochloride (117160-99-3)

Guidance literature:

With hydrogenchloride; In methanol; at 20 ℃; for 4.16667h;

DOI:10.1021/op0200773

Reference yield:

methyl (2S)-2-amino-3-phenylpropanoate hydrochloride (7524-50-7) → methyl 3-cyclohexyl-L-alaninate hydrochloride (17193-39-4,144644-00-8) + (2S)-2-amino-3-cyclohexylpropan-1-ol hydrochloride (117160-99-3)

Guidance literature:

With hydrogen; Nishimura catalyst <(45.9% Rh/19.9% Pt) oxide>; In methanol; at 25 ℃; under 75007.5 Torr;

DOI:10.1002/1615-4169(20011231)343:8<802::AID-ADSC802>3.0.CO;2-T

upstream raw materials:

L-Phenylalaninol

methyl (2S)-2-amino-3-phenylpropanoate hydrochloride

tert-butyl [(1S)-2-cyclohexyl-1-(hydroxymethyl)ethyl]carbamate

L-phenylalanine

Downstream raw materials:

1,1-dimethylethyl [(1S)-2-azido-1-(cyclohexylmethyl)ethyl]methylcarbamate

(S)-tert-butyl (1-amino-3-cyclohexylpropan-2-yl)(methyl)carbamate

(S)-tert-butyl (1-azido-3-cyclohexylpropan-2-yl)carbamate

(2S)-3-cyclohexyl-2-{[2-(1-cyclohexyl-3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]amino}propan-1-ol

Refernces

• 1、 Studer, Martin,Burkhardt, Stefan,Blaser, Hans-Ulrich. "Catalytic Hydrogenation of Chiral α-Amino and α-Hydroxy Esters at Room Temperature with Nishimura Catalyst without Racemization". . p. 802 - 808. Retrieved 2007/10/03.