1 - (4 - broMo-2 - fluoro-6 - hydroxyphenyl) ethanone

Base Information

• Chemical Name: 1 - (4 - broMo-2 - fluoro-6 - hydroxyphenyl) ethanone
• CAS No.: 1369594-41-1
• Molecular Formula: C8H6BrFO2
• Molecular Weight: 233.037
• Hs Code.: 2914500090
• Mol file: 1369594-41-1.mol

Synonyms:Ethanone, 1-(4-bromo-2-fluoro-6-hydroxyphenyl)-

Chemical Property of 1 - (4 - broMo-2 - fluoro-6 - hydroxyphenyl) ethanone

Chemical Property:

• Boiling Point: 288.2±40.0 °C(Predicted)
• PKA: 8.20±0.15(Predicted)
• PSA: 37.30000
• Density: 1.667±0.06 g/cm3(Predicted)
• LogP: 2.49640
• Storage Temp.: 2-8°C

Purity/Quality:

99% ^*data from raw suppliers

4'-Bromo-2'-fluoro-6'-hydroxyacetophenone 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 1 - (4 - broMo-2 - fluoro-6 - hydroxyphenyl) ethanone

There total 2 articles about 1 - (4 - broMo-2 - fluoro-6 - hydroxyphenyl) ethanone 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: 87.0%

3-bromo-5-fluorophenyl acetate (1260846-67-0) → 1-(4-bromo-2-fluoro-6-hydroxyphenyl)ethan-1-one (1369594-41-1)

Guidance literature:

With aluminum (III) chloride; In dichloromethane; at 0 - 140 ℃;

Reference yield: 87.0%

3-bromo-5-fluorophenyl acetate (1260846-67-0) + ethyl acetate (141-78-6) → 1-(4-bromo-2-fluoro-6-hydroxyphenyl)ethan-1-one (1369594-41-1)

Guidance literature:

3-bromo-5-fluorophenyl acetate; With aluminum (III) chloride; In dichloromethane; at 0 - 140 ℃;

ethyl acetate; With water; at 0 - 80 ℃;

Reference yield: 92.0%

1-(4-bromo-2-fluoro-6-hydroxyphenyl)ethan-1-one (1369594-41-1) + N,N-Dimethylthiocarbamoyl chloride (16420-13-6) → dimethyl-thiocarbamic acid O-(2-acetyl-3-fluoro-5-bromophenyl) ester

Guidance literature:

With 1,4-diaza-bicyclo[2.2.2]octane; In N,N-dimethyl-formamide; at 20 ℃; for 18h;

upstream raw materials:

3-bromo-5-fluorophenyl acetate

ethyl acetate

Downstream raw materials:

C₁₄H₁₁Br₂FN₂O

C₁₄H₈Br₂FNO

C₁₄H₈BrClFNO

Refernces

• 1、 Wu, Deyan,Huang, Yadan,Chen, Yiping,Huang, Yi-You,Geng, Haiju,Zhang, Tianhua,Zhang, Chen,Li, Zhe,Guo, Lei,Chen, Jianwen,Luo, Hai-Bin. "Optimization of Chromeno[2,3- c]pyrrol-9(2 H)-ones as Highly Potent, Selective, and Orally Bioavailable PDE5 Inhibitors: Structure-Activity Relationship, X-ray Crystal Structure, and Pharmacodynamic Effect on Pulmonary Arterial Hypertension". supporting information. p. 8468 - 8473. Retrieved 2018/09/20.
• 2、 Yu, Wensheng,Tong, Ling,Hu, Bin,Zhong, Bin,Hao, Jinglai,Ji, Tao,Zan, Shuai,Coburn, Craig A.,Selyutin, Oleg,Chen, Lei,Rokosz, Laura,Agrawal, Sony,Liu, Rong,Curry, Stephanie,McMonagle, Patricia,Ingravallo, Paul,Asante-Appiah, Ernest,Chen, Shiying,Kozlowski, Joseph A.. "Discovery of Chromane Containing Hepatitis C Virus (HCV) NS5A Inhibitors with Improved Potency against Resistance-Associated Variants". . p. 10228 - 10243. Retrieved 2016/12/07.