2-Bromo-5-fluorobenzyl alcohol

Base Information

• Chemical Name: 2-Bromo-5-fluorobenzyl alcohol
• CAS No.: 202865-66-5
• Molecular Formula: C7H6BrFO
• Molecular Weight: 205.026
• Hs Code.: 2906290090
• European Community (EC) Number: 606-492-9
• DSSTox Substance ID: DTXSID00378397
• Nikkaji Number: J2.495.584B
• Wikidata: Q72455951
• Mol file: 202865-66-5.mol

Synonyms:2-Bromo-5-fluorobenzyl alcohol;202865-66-5;(2-bromo-5-fluorophenyl)methanol;2-bromo-5-fluorobenzylalcohol;BENZENEMETHANOL, 2-BROMO-5-FLUORO-;MFCD00142876;2-Bromo-5-fluoro benzylalcohol;Bromo-5-fluorobenzyl alcohol;SCHEMBL458270;DTXSID00378397;(2-bromo-5-fluoro-phenyl)methanol;(2-bromo-5-fluorophenyl)-methanol;(2- bromo-5-fluoro-phenyl)methanol;(2-bromo-5-fluoro-phenyl)-methanol;AKOS005257312;2-Bromo-5-fluorobenzyl alcohol, 97%;AC-2309;CS-W008302;DS-0989;PS-8130;(2-bromanyl-5-fluoranyl-phenyl)methanol;SY014474;A4414;AM20050134;FT-0652763;EN300-155933;A802341;W-206496

Chemical Property of 2-Bromo-5-fluorobenzyl alcohol

Chemical Property:

• Vapor Pressure: 0.0502mmHg at 25°C
• Melting Point: 91-94 °C
• Boiling Point: 252.5 °C at 760 mmHg
• PKA: 13.67±0.10(Predicted)
• Flash Point: 106.5 °C
• PSA: 20.23000
• Density: 1.658 g/cm³
• LogP: 2.08050
• Storage Temp.: Room temperature.
• Water Solubility.: Slightly soluble in water.
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 203.95861
• Heavy Atom Count: 10
• Complexity: 110

Purity/Quality:

99% ^*data from raw suppliers

2-Bromo-5-fluorobenzyl alcohol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn, Xi
• Hazard Codes: Xi,Xn
• Statements: 36/37/38-36-22
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1F)CO)Br
• Uses: 2-Bromo-5-fluorobenzyl alcohol is used as intermediates in pharmaceutical and organic synthesis.

Technology Process of 2-Bromo-5-fluorobenzyl alcohol

There total 7 articles about 2-Bromo-5-fluorobenzyl alcohol 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: 99.8%

→ 2-bromo-5-fluorobenzyl alcohol (202865-66-5)

Guidance literature:

With sodium tetrahydroborate; In ethanol; water; ethyl acetate;

Reference yield: 99.8%

2-bromo-5-fluorobenzaldehyde (94569-84-3) → 2-bromo-5-fluorobenzyl alcohol (202865-66-5)

Guidance literature:

With diisobutylaluminium hydride; In tetrahydrofuran; hexane; at 0 ℃; for 2.5h;

DOI:10.1021/jo048860b

Reference yield: 99.0%

2-bromo-5-fluorobenzyl bromide (112399-50-5) → 2-bromo-5-fluorobenzyl alcohol (202865-66-5)

Guidance literature:

With water; calcium carbonate; In 1,4-dioxane; at 100 ℃; for 24h;

DOI:10.1039/b801206g

upstream raw materials:

2-bromo-5-fluorobenzyl bromide

2-bromo-5-fluorobenzaldehyde

2-Bromo-5-fluorotoluene

2-Bromo-5-fluorobenzoic acid

Downstream raw materials:

1-bromo-2-(1-ethoxyethoxymethyl)-4-fluorobenzene

[2-(2-Bromo-5-fluoro-benzyloxymethoxy)-ethyl]trimethyl-silane

Refernces

• 1、 Wang, Yibing,Lou, Yang,Wang, Jiang,Li, Dan,Chen, Hui,Zheng, Tiannan,Xia, Chunmei,Song, Xiaohan,Dong, Tiancheng,Li, Jingya,Li, Jia,Liu, Hong. "Design, synthesis and biological evaluation of 6-deoxy O-spiroketal C-arylglucosides as novel renal sodium-dependent glucose cotransporter 2 (SGLT2) inhibitors for the treatment of type 2 diabetes". . p. 398 - 416. Retrieved 2019/07/19.
• 2、 Tan, Qiuyuan,Yang, Zhao,Jiang, Dan,Cheng, Yuegang,Yang, Jiao,Xi, Song,Zhang, Min. "Copper-Catalyzed Aerobic Oxidative Cyclization Cascade to Construct Bridged Skeletons: Total Synthesis of (?)-Suaveoline". supporting information. p. 6420 - 6424. Retrieved 2019/04/13.