(S)-3-(4-CHLOROPHENYL)-BETA-ALANINOL

Base Information

• Chemical Name: (S)-3-(4-CHLOROPHENYL)-BETA-ALANINOL
• CAS No.: 886061-26-3
• Molecular Formula: C₉H₁₂ClNO
• Molecular Weight: 185.653
• Hs Code.: 2922199090
• Mol file: 886061-26-3.mol

Synonyms:(S)-3-(4-CHLOROPHENYL)-BETA-ALANINOL

Chemical Property of (S)-3-(4-CHLOROPHENYL)-BETA-ALANINOL

Chemical Property:

• Vapor Pressure: 7.93E-05mmHg at 25°C
• Melting Point: 53-56 °C
• Refractive Index: 1.574
• Boiling Point: 327.9°C at 760 mmHg
• PKA: 14.87±0.10(Predicted)
• Flash Point: 152.1°C
• PSA: 46.25000
• Density: 1.216
• LogP: 2.42250
• Storage Temp.: 2-8°C(protect from light)

Purity/Quality:

99% ^*data from raw suppliers

(S)-3-Amino-3-(4-chloro-phenyl)-propan-1-ol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of (S)-3-(4-CHLOROPHENYL)-BETA-ALANINOL

There total 6 articles about (S)-3-(4-CHLOROPHENYL)-BETA-ALANINOL 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: 80.0%

(S)-β-amino-β-(4-chlorophenyl)propionic acid (131690-60-3,131690-61-4) → (3S)-3-amino-3-(4-chlorophenyl)propan-1-ol (1213362-28-7,886061-26-3)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran;

DOI:10.1002/chem.200501261

Reference yield: 57.0%

3-amino-3-(4-chlorophenyl)propionic acid (19947-39-8,131690-61-4) → 3-amino-3-(4-chlorophenyl)propan-1-ol (68208-26-4,1213362-28-7,886061-26-3)

Guidance literature:

With borane-THF; In tetrahydrofuran; at 0 - 22 ℃; for 5.83333h; Inert atmosphere;

DOI:10.1021/jm301762v

Reference yield:

C11H11Cl4NO → 3-amino-3-(4-chlorophenyl)propan-1-ol (68208-26-4,1213362-28-7,886061-26-3)

Guidance literature:

Multi-step reaction with 2 steps

1: cesium iodide; phthaloyl peroxide / acetonitrile / 8 h / Irradiation; Inert atmosphere

2: hydrogenchloride / methanol; water / 2 h

With hydrogenchloride; phthaloyl peroxide; cesium iodide; In methanol; water; acetonitrile;

DOI:10.1002/anie.202008806

upstream raw materials:

3-amino-3-(4-chlorophenyl)propionic acid

4-chlorobenzaldehyde

(S)-β-amino-β-(4-chlorophenyl)propionic acid

Refernces

• 1、 Baba, Souya,Hirano, Kazuki,Tayama, Eiji. "Base-induced Sommelet–Hauser rearrangement of N-(α-(2-oxyethyl)branched)benzylic glycine ester-derived ammonium salts via a chelated intermediate". supporting information. . Retrieved 2020/03/13.
• 2、 Addie, Matt,Ballard, Peter,Buttar, David,Crafter, Claire,Currie, Gordon,Davies, Barry R.,Debreczeni, Judit,Dry, Hannah,Dudley, Philippa,Greenwood, Ryan,Johnson, Paul D.,Kettle, Jason G.,Lane, Clare,Lamont, Gillian,Leach, Andrew,Luke, Richard W. A.,Morris, Jeff,Ogilvie, Donald,Page, Ken,Pass, Martin,Pearson, Stuart,Ruston, Linette. "Discovery of 4-amino-N-[(1S)-1-(4-chlorophenyl)-3-hydroxypropyl]-1-(7H- pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide (AZD5363), an orally bioavailable, potent inhibitor of Akt kinases". . p. 2059 - 2073. Retrieved 2013/05/08.