(1S)-1-(4-bromophenyl)ethane-1,2-diol

Base Information

• Chemical Name: (1S)-1-(4-bromophenyl)ethane-1,2-diol
• CAS No.: 160332-70-7
• Molecular Formula: C8H9BrO2
• Molecular Weight: 217.062
• European Community (EC) Number: 847-689-1
• Nikkaji Number: J915.577E
• Mol file: 160332-70-7.mol

Synonyms:(1S)-1-(4-bromophenyl)ethane-1,2-diol;160332-70-7;(s)-1-(4-bromophenyl)-1,2-ethanediol;(S)-1-(4-Bromophenyl)ethane-1,2-diol;1,2-Ethanediol, 1-(4-bromophenyl)-, (1S)-;SCHEMBL1305581;AT17335;CS-0127788;EN300-378830

Chemical Property of (1S)-1-(4-bromophenyl)ethane-1,2-diol

Chemical Property:

• PSA: 0.00000
• LogP: 0.00000
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 215.97859
• Heavy Atom Count: 11
• Complexity: 111

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(CO)O)Br
• Isomeric SMILES: C1=CC(=CC=C1[C@@H](CO)O)Br

Technology Process of (1S)-1-(4-bromophenyl)ethane-1,2-diol

There total 25 articles about (1S)-1-(4-bromophenyl)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: 96.0%

1-bromo-4-ethenyl-benzene (2039-82-9) → (S)-(+)-1-(4-bromophenyl)-1,2-ethanediol (160332-70-7)

Guidance literature:

With (DHQD)₂Phal; water; In tert-butyl alcohol; at 0 ℃;

Reference yield: 86.0%

4-bromo-2-hydroxyacetophenone (3343-45-1) → (S)-(+)-1-(4-bromophenyl)-1,2-ethanediol (160332-70-7)

Guidance literature:

With dmap; (R)-3,3'-bis(9-anthracenyl)-1,1'-binaphthyl-2,2'-diyl hydrogenphosphate; magnesium sulfate; benzo[1,3,2]dioxaborole; In dichloromethane; toluene; at -78 ℃; for 2.5h; enantioselective reaction; Inert atmosphere;

DOI:10.1002/adsc.201800053

Reference yield: 74.0%

(S)-2-methylcarbonyloxy-1-(4-bromophenyl)ethyl acetate (306282-43-9) → (S)-(+)-1-(4-bromophenyl)-1,2-ethanediol (160332-70-7)

Guidance literature:

With potassium carbonate; In methanol; at 20 ℃; for 1.5h;

upstream raw materials:

2-(4-bromophenyl)-2-oxoethyl acetate

(+/-)-2-(4-bromophenyl)oxirane

(R)-2-(4-bromophenyl)oxirane

2-(4-bromophenyl)oxirane