4-Bromo-2,6-difluorophenol

Base Information

• Chemical Name: 4-Bromo-2,6-difluorophenol
• CAS No.: 104197-13-9
• Molecular Formula: C6H3BrF2O
• Molecular Weight: 208.99
• Hs Code.: 2908199090
• European Community (EC) Number: 642-788-4
• DSSTox Substance ID: DTXSID10371253
• Nikkaji Number: J1.298.344A
• Wikidata: Q72454454
• Mol file: 104197-13-9.mol

Synonyms:4-Bromo-2,6-difluorophenol;104197-13-9;2,6-difluoro-4-bromophenol;Phenol, 4-bromo-2,6-difluoro-;MFCD00236213;4-bromo-2,6-difluoro-phenol;2,6 difluoro-4-bromophenol;2.6-difluoro-4-bromophenol;SCHEMBL13029;2,6-difluoro-4-bromo-phenol;DTXSID10371253;GPRPSJPFAAGLCA-UHFFFAOYSA-N;AKOS015889715;AC-1586;CS-W015183;AS-17680;SY030398;AM20020134;FT-0617742;EN300-211087;J-507468;Z1269203150

Chemical Property of 4-Bromo-2,6-difluorophenol

Chemical Property:

• Vapor Pressure: 0.668mmHg at 25°C
• Melting Point: 50 °C
• Refractive Index: 1.549
• Boiling Point: 180.2 °C at 760 mmHg
• PKA: 6.89±0.23(Predicted)
• Flash Point: 62.8 °C
• PSA: 20.23000
• Density: 1.858 g/cm³
• LogP: 2.43290
• Storage Temp.: Inert atmosphere,Room Temperature
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 207.93353
• Heavy Atom Count: 10
• Complexity: 110

Purity/Quality:

99% ^*data from raw suppliers

4-Bromo-2,6-difluorophenol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C(=C1F)O)F)Br

Technology Process of 4-Bromo-2,6-difluorophenol

There total 8 articles about 4-Bromo-2,6-difluorophenol 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: 93.0%

2,6-difluorophenol (28177-48-2) → 4-bromo-2,6-difluorophenol (104197-13-9)

Guidance literature:

With N-Bromosuccinimide; In N,N-dimethyl-formamide; at 0 - 20 ℃; for 20h;

Reference yield: 92.3%

2,6-difluoro-4-bromophenylboronic acid (352535-81-0) → 4-bromo-2,6-difluorophenol (104197-13-9)

Guidance literature:

With dihydrogen peroxide; In tetrahydrofuran; at 30 - 40 ℃; for 2h; Inert atmosphere;

Reference yield: 29.0%

3,5-difluorobromobenzene (461-96-1) → 4-bromo-2,6-difluorophenol (104197-13-9)

Guidance literature:

3,5-difluorobromobenzene; With n-butyllithium; diisopropylamine; In tetrahydrofuran; at -78 ℃; Inert atmosphere;

With fluorodimethoxyborane diethyl etherate; In tetrahydrofuran; at -78 - 0 ℃;

With water; dihydrogen peroxide; sodium hydroxide; In tetrahydrofuran; at 0 - 20 ℃;

upstream raw materials:

4-bromo-phenol

2,6-difluorophenol

1,3-Difluorobenzene

2,6-difluorophenylboronic acid

Downstream raw materials:

(2,6-difluoro-4-bromophenol) 3,4-difluorobenzoate

5-bromo-1,3-difluoro-2-methoxy-benzene

tert-butyl(4-bromo-2,6-difluoro-phenyloxy)dimethylsilane

Refernces

• 1、 Sheng, Ren,Yang, Liu,Zhang, Yanchun,Xing, Enming,Shi, Rui,Wen, Xiaoan,Wang, Heyao,Sun, Hongbin. "Discovery of novel selective GPR120 agonists with potent anti-diabetic activity by hybrid design". supporting information. p. 2599 - 2604. Retrieved 2018/07/06.
• 2、 -. "A 2, 6 - difluoro - 4 - bromophenol preparation method (by machine translation)". Paragraph 0016; 0028; 0029; 0035; 0036. . Retrieved 2017/06/28.