3-Fluoro-5-bromophenol

Base Information

• Chemical Name: 3-Fluoro-5-bromophenol
• CAS No.: 433939-27-6
• Molecular Formula: C6H4BrFO
• Molecular Weight: 191
• Hs Code.: 29081990
• Mol file: 433939-27-6.mol

Synonyms:3-Bromo-5-fluorophenol;MolPort-001-773-363;AC-3758;ST51051707;B3063;5-Bromo-3-fluorophenol;

Chemical Property of 3-Fluoro-5-bromophenol

Chemical Property:

• Vapor Pressure: 0.042mmHg at 25°C
• Melting Point: 42oC
• Refractive Index: 1.576
• Boiling Point: 231.089 °C at 760 mmHg
• PKA: 8.01±0.10(Predicted)
• Flash Point: 93.56 °C
• PSA: 20.23000
• Density: 1.764 g/cm³
• LogP: 2.29380
• Storage Temp.: 2-8°C

Purity/Quality:

99% ^*data from raw suppliers

3-Bromo-5-fluorophenol ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 3-Fluoro-5-bromophenol

There total 3 articles about 3-Fluoro-5-bromophenol 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: 94.0%

3,5-difluorobromobenzene (461-96-1) → 3-bromo-5-fluorophenol (433939-27-6)

Guidance literature:

3,5-difluorobromobenzene; With 2-(methylsulfonyl)ethyl alcohol; potassium tert-butylate; In dimethyl sulfoxide; at 0 - 20 ℃; for 3h;

With hydrogenchloride; In water; dimethyl sulfoxide; pH=1;

With sodium hydroxide; In diethyl ether; water;

Reference yield: 92.0%

5-benzyloxy-3-fluorophenyl bromide (130722-44-0) → 3-bromo-5-fluorophenol (433939-27-6)

Guidance literature:

5-benzyloxy-3-fluorophenyl bromide; With aluminum (III) chloride; N,N-dimethyl-aniline; In dichloromethane; at 0 ℃; for 2.16667h;

With hydrogenchloride; In dichloromethane; water;

With hydrogenchloride; potassium hydroxide; more than 3 stages;

Reference yield:

2-(methylsulfonyl)ethyl alcohol (15205-66-0) + 3,5-difluorobromobenzene (461-96-1) → 3-bromo-5-fluorophenol (433939-27-6)

Guidance literature:

With potassium tert-butylate; In dimethyl sulfoxide; at 20 ℃; Cooling;

upstream raw materials:

5-benzyloxy-3-fluorophenyl bromide

3,5-difluorobromobenzene

2-(methylsulfonyl)ethyl alcohol

Downstream raw materials:

1-bromo-3-fluoro-5-propoxy-benzene

C₁₄H₈BrClFNO

3-(tert-butyldimethylsilyloxy)-5-fluorobenzaldehyde

3-fluoro-5-hydroxybenzaldehyde

Refernces

• 1、 Harikrishnan, Lalgudi S.,Finlay, Heather J.,Qiao, Jennifer X.,Kamau, Muthoni G.,Jiang, Ji,Wang, Tammy C.,Li, James,Cooper, Christopher B.,Poss, Michael A.,Adam, Leonard P.,Taylor, David S.,Chen, Alice Ye A.,Yin, Xiaohong,Sleph, Paul G.,Yang, Richard Z.,Sitkoff, Doree F.,Galella, Michael A.,Nirschl, David S.,Van Kirk, Katy,Miller, Arthur V.,Huang, Christine S.,Chang, Ming,Chen, Xue-Qing,Salvati, Mark E.,Wexler, Ruth R.,Lawrence, R. Michael. "Diphenylpyridylethanamine (DPPE) derivatives as cholesteryl ester transfer protein (CETP) inhibitors". experimental part. p. 6162 - 6175. Retrieved 2012/09/07.
• 2、 Li, Jianqing,Smith, Daniel,Qiao, Jennifer X.,Huang, Stella,Krishnananthan, Subramaniam,Wong, Henry S.,Salvati, Mark E.,Balasubramanian, Balu N.,Chen, Bang-Chi. "Preparation of monofluorophenols via the reaction of difluorobenzene derivatives with potassium trimethylsilanoate". body text. p. 633 - 637. Retrieved 2009/07/01.