(1S)-1-(2-chlorophenyl)ethane-1,2-diol

Base Information

• Chemical Name: (1S)-1-(2-chlorophenyl)ethane-1,2-diol
• CAS No.: 133082-13-0
• Molecular Formula: C₈H₉ClO₂
• Molecular Weight: 172.611
• Hs Code.: 2906299090
• DSSTox Substance ID: DTXSID60369968
• Nikkaji Number: J954.228K
• Wikidata: Q72456801
• Mol file: 133082-13-0.mol

Synonyms:133082-13-0;(S)-(+)-1-(2-Chlorophenyl)-1,2-ethanediol;(1S)-1-(2-chlorophenyl)ethane-1,2-diol;(S)-1-(2-Chlorophenyl)-1,2-ethanediol;1,2-Ethanediol, 1-(2-chlorophenyl)-, (1S)-;(S)-2-(2-Chlorophenyl)ethane-1,2-diol;MFCD01863241;SCHEMBL7468533;DTXSID60369968;FD1211;AKOS005146012;CS-W017571;AC-23806;DS-13424;1,2-Ethanediol,1-(2-chlorophenyl)-, (1S)-;A806550;J-006306;(S)-(+)-1-(2-Chlorophenyl)-1,2-ethanediol, 96%

Chemical Property of (1S)-1-(2-chlorophenyl)ethane-1,2-diol

Chemical Property:

• Vapor Pressure: 0.000119mmHg at 25°C
• Melting Point: 68-75 °C(lit.)
• Refractive Index: 1.588
• Boiling Point: 322 °C at 760 mmHg
• PKA: 13.24±0.20(Predicted)
• Flash Point: 148.5 °C
• PSA: 40.46000
• Density: 1.328g/cm³
• LogP: 1.36570
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 172.0291072
• Heavy Atom Count: 11
• Complexity: 119

Purity/Quality:

97% ^*data from raw suppliers

(S)-(+)-1-(2-Chlorophenyl)-1,2-ethanediol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 37/39-26

MSDS Files:

Total 1 MSDS from other Authors

Useful:

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

Technology Process of (1S)-1-(2-chlorophenyl)ethane-1,2-diol

There total 15 articles about (1S)-1-(2-chlorophenyl)ethane-1,2-diol 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: 100.0%

1-(2-chlorophenyl)-2-hydroxyethanone (27993-71-1) → (DL)-o-chlorophenyl-1,2-ethanediol (32345-65-6,133082-13-0,59365-60-5)

Guidance literature:

With sodium tetrahydroborate; In ethanol; for 1h;

DOI:10.1016/j.tetasy.2011.12.008

Reference yield: 95.0%

2-chlorostyrene (2039-87-4,107830-52-4,26125-41-7) → (DL)-o-chlorophenyl-1,2-ethanediol (32345-65-6,133082-13-0,59365-60-5)

Guidance literature:

With water; 3-chloro-benzenecarboperoxoic acid; at 30 ℃; for 3h;

Reference yield: 92.0%

→ (DL)-o-chlorophenyl-1,2-ethanediol (32345-65-6,133082-13-0,59365-60-5)

Guidance literature:

upstream raw materials:

o-chlorostyrene oxide

2-chlorostyrene

ethyl acetate

carbamic acid (2R)-2-(2-chloro-phenyl)-2-hydroxy-ethyl ester

Downstream raw materials:

2-(bromomethyl)-4-(2-chlorophenyl)-2-(4-chlorophenyl)-1,3-dioxolane

2-Bromomethyl-2-(4-bromo-phenyl)-4-(2-chloro-phenyl)-[1,3]dioxolane

(R)-(-)-2-(2-chlorophenyl)oxirane

(S)-(+)-2-(2-chlorophenyl)oxirane