(S)-2-amino-1-(3-chlorophenyl)ethanol

Base Information

• Chemical Name: (S)-2-amino-1-(3-chlorophenyl)ethanol
• CAS No.: 168112-89-8
• Molecular Formula: C8H10 Cl N O
• Molecular Weight: 171.626
• Hs Code.: 2922199090
• DSSTox Substance ID: DTXSID60431816
• Nikkaji Number: J1.785.297C
• Wikidata: Q72439310
• Mol file: 168112-89-8.mol

Synonyms:168112-89-8;(S)-2-amino-1-(3-chlorophenyl)ethanol;(1S)-2-Amino-1-(3-chlorophenyl)ethanol;(S)-2-AMINO-1-(3-CHLORO-PHENYL)-ETHANOL;Benzenemethanol, alpha-(aminomethyl)-3-chloro-, (alphaS)-;(1S)-2-amino-1-(3-chlorophenyl)ethan-1-ol;(S)-2-amino-1-[3-chlorophenyl]ethanol;(S)-2-amino-1-(3-chlorophenyl)ethan-1-ol;SCHEMBL768007;Benzenemethanol, a-(aminomethyl)-3-chloro-, (aS)-;DTXSID60431816;STJIXOUDTUPEEL-MRVPVSSYSA-N;CS-B0672;AKOS017515666;(S)-1-(3-Chlorophenyl)-2-aminoethanol;(S)-2-amino-1-(3-chlorophenyl)-ethanol;EN300-202587;(S)-2-(3-Chloro-phenyl)-2-hydroxy-ethylamine;Benzenemethanol,a-(aminomethyl)-3-chloro-,(as)-

Chemical Property of (S)-2-amino-1-(3-chlorophenyl)ethanol

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 319.809°C at 760 mmHg
• Flash Point: 147.215°C
• PSA: 46.25000
• Density: 1.261g/cm³
• LogP: 2.03240
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 171.0450916
• Heavy Atom Count: 11
• Complexity: 121

Purity/Quality:

97% ^*data from raw suppliers

(S)-2-Amino-1-(3-chloro-phenyl)-ethanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)Cl)C(CN)O
• Isomeric SMILES: C1=CC(=CC(=C1)Cl)[C@@H](CN)O

Technology Process of (S)-2-amino-1-(3-chlorophenyl)ethanol

There total 3 articles about (S)-2-amino-1-(3-chlorophenyl)ethanol 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%

(S)-(+)-2-azido-1-(m-chlorophenyl)ethanol → (S)-(+)-2-amino-1-(3-chlorophenyl)ethanol (168112-89-8)

Guidance literature:

With hydrogen; palladium on activated charcoal; In methanol; at 20 ℃; for 15h;

DOI:10.1016/S0957-4166(02)00322-1

Reference yield:

(S)-2-(3-chlorophenyl)-2-methoxymethyloxyethylamine → (S)-(+)-2-amino-1-(3-chlorophenyl)ethanol (168112-89-8)

Guidance literature:

With hydrogenchloride; sodium hydroxide; In methanol; water;

Reference yield:

(S)-(+)-1-(3-Chlorophenyl)-2-(p-tolylsulfonyloxy)ethanol (204972-89-4) → (S)-(+)-2-amino-1-(3-chlorophenyl)ethanol (168112-89-8)

Guidance literature:

Multi-step reaction with 2 steps

1: 96 percent / NaN₃ / dimethylsulfoxide / 80 °C

2: 97 percent / H₂ / 10 percent Pd/C / methanol / 15 h / 20 °C

With sodium azide; hydrogen; palladium on activated charcoal; In methanol; dimethyl sulfoxide;

DOI:10.1016/S0957-4166(02)00322-1

upstream raw materials:

(S)-(+)-1-(3-Chlorophenyl)-2-(p-tolylsulfonyloxy)ethanol

Downstream raw materials:

C₃₀H₃₅ClN₆O₄

(S)-4-(2-(3-chlorophenyl)-2-hydroxyethylamino)-3-(4-methyl-6-(1-methylpiperidin-4-yl)-1H-benzo[d]imidazol-2-yl)pyridin-2(1H)-one

(S)-4-(2-(3-chlorophenyl)-2-hydroxyethylamino)-3-(6-(1-(2-methoxyethyl)piperidin-4-yl)-4-methyl-1H-benzo[d]imidazo1-2-yl)pyridin-2(1H)-one

(S)-4-(2-(3-chlorophenyl)-2-hydroxyethylamino)-3-(6-(1-(3-fluoropropyl)piperidin-4-yl)-4-methyl-1H-benzo[d]imidazol-2-yl)pyridin-2(1H)-one