1-(3-Bromo-2-fluorophenyl)ethanol

Base Information

• Chemical Name: 1-(3-Bromo-2-fluorophenyl)ethanol
• CAS No.: 1221715-80-5
• Molecular Formula: C8H8BrFO
• Molecular Weight: 219.0509232
• Hs Code.: 2905599890
• DSSTox Substance ID: DTXSID20703905
• Mol file: 1221715-80-5.mol

Synonyms:1-(3-Bromo-2-fluorophenyl)ethanol;1221715-80-5;1-(3-bromo-2-fluoro-phenyl)ethanol;3-Bromo-2-fluoro-alpha-methylbenzenemethanol;MFCD16140247;1-(3-Bromo-2-fluorophenyl)ethan-1-ol;DTXSID20703905;AKOS015969291;AM808027;AS-66031;CS-0191722;Benzenemethanol, 3-bromo-2-fluoro-alpha-methyl-;A891196

Chemical Property of 1-(3-Bromo-2-fluorophenyl)ethanol

Chemical Property:

• Boiling Point: 255.4±25.0℃ (760 Torr)
• Flash Point: 108.3±23.2℃
• PSA: 20.23000
• Density: 1.554±0.06 g/cm3 (20 oC 760 Torr)
• LogP: 2.64150
• Storage Temp.: 2-8°C
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 217.97426
• Heavy Atom Count: 11
• Complexity: 131

Purity/Quality:

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

1-(3-Bromo-2-fluorophenyl)ethanol 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C1=C(C(=CC=C1)Br)F)O

Technology Process of 1-(3-Bromo-2-fluorophenyl)ethanol

There total 3 articles about 1-(3-Bromo-2-fluorophenyl)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:

1-(3-bromo-2-fluorophenyl)ethan-1-one (161957-61-5) → C8H8BrFO (1221715-80-5) + C8H8BrFO (1221715-80-5)

Guidance literature:

With D-Glucose; cobalt(II); BaSDR₁ reductase variant Q₁₃₉G; NADH; In aq. phosphate buffer; at 35 ℃; pH=7.5; enantioselective reaction; Enzymatic reaction;

DOI:10.1002/chem.202005195

Reference yield:

1-(3-bromo-2-fluorophenyl)ethan-1-one (161957-61-5) → C8H8BrFO (1221715-80-5) + C8H8BrFO (1221715-80-5)

Guidance literature:

With D-Glucose; cobalt(II); BaSDR₁ reductase variant Q₁₃₉G; NADH; In aq. phosphate buffer; at 35 ℃; pH=7.5; enantioselective reaction; Enzymatic reaction;

DOI:10.1002/chem.202005195

Reference yield:

1-(3-bromo-2-fluorophenyl)ethan-1-one (161957-61-5) → C8H8BrFO (1221715-80-5)

Guidance literature:

With alpha-D-glucopyranose; cobalt(II); β-nicotinamide adenine dinucleotide, disodium salt, reduced form; In aq. phosphate buffer; at 35 ℃; pH=7.5; Reagent/catalyst; enantioselective reaction; Catalytic behavior; Enzymatic reaction;

DOI:10.1039/c9cy02335f

upstream raw materials:

1-(3-bromo-2-fluorophenyl)ethan-1-one

Refernces

• 1、 Li, Aipeng,Li, Xue,Pang, Wei,Tian, Qing,Wang, Ting,Zhang, Lianbing. "Fine-tuning of the substrate binding mode to enhance the catalytic efficiency of an: Ortho -haloacetophenone-specific carbonyl reductase". . p. 2462 - 2472. Retrieved 2020/05/13.