4,4'-Difluorobenzhydrol

Base Information

• Chemical Name: 4,4'-Difluorobenzhydrol
• CAS No.: 365-24-2
• Molecular Formula: C13H10F2O
• Molecular Weight: 220.219
• Hs Code.: 2907.29
• European Community (EC) Number: 206-671-8
• DSSTox Substance ID: DTXSID90189999
• Nikkaji Number: J193.872J
• Wikidata: Q72462478
• Mol file: 365-24-2.mol

Synonyms:Bis(4-fluorophenyl)methanol;4,4'-Difluorobenzhydrol;365-24-2;Bis-(4-fluorophenyl)-methanol;bis-(4-fluoro-phenyl)-methanol;4,4'-Difluorobenzhydryl alcohol;C13H10F2O;MFCD00000357;Bis(4-fluorophenyl) carbinol;EINECS 206-671-8;4,4-difluorobenzhydrol;4,4'-Diflourobenzhydrol;4,4'-Difluoro-benzhydrol;4,4\'-Difluorobenzhydrol;Benzenemethanol, 4-fluoro-a-(4-fluorophenyl)-;Bis-(4-fluorphenyl)methanol;SCHEMBL597442;DTXSID90189999;Bis(4-fluorophenyl)methanol, 98%;AC7713;C13-H10-F2-O;AKOS000120588;AC-4714;AS-12592;SY017066;A6312;AM20060921;CS-0093482;D1795;FT-0617046;4-fluoro-alpha-(4-fluorophenyl)benzenemethanol;Benzenemethanol, 4-fluoro-alpha-(4-fluorophenyl)-;W-106604;Benzenemethanol, 4-fluoro-.alpha.-(4-fluorophenyl)-

Chemical Property of 4,4'-Difluorobenzhydrol

Chemical Property:

• Appearance/Colour: white to yellowish crystalline flakes or powder
• Melting Point: 43-45 °C(lit.)
• Boiling Point: 304.8 °C at 760 mmHg
• PKA: 13.41±0.20(Predicted)
• Flash Point: 146.5 °C
• PSA: 20.23000
• Density: 1.254 g/cm³
• LogP: 3.04650
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 220.06997126
• Heavy Atom Count: 16
• Complexity: 184

Purity/Quality:

Bis(4-fluorophenyl)methanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 22-24/25-36/37-26

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Alcohols and Polyols, Other
• Canonical SMILES: C1=CC(=CC=C1C(C2=CC=C(C=C2)F)O)F
• Uses: 4-Chloropyridine-3-sulfonyl Chloride can be used for antiinflammatory properties.

Technology Process of 4,4'-Difluorobenzhydrol

There total 17 articles about 4,4'-Difluorobenzhydrol 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: 99.0%

4-fluorobenzaldehyde (459-57-4) + 1-Bromo-4-fluorobenzene (460-00-4) → 4,4'-difluorobenzhydryl alcohol (365-24-2)

Guidance literature:

1-Bromo-4-fluorobenzene; With magnesium; In diethyl ether;

4-fluorobenzaldehyde; In diethyl ether; at -18 ℃;

Reference yield: 98.0%

4,4'-Difluorobenzophenone (345-92-6) → 4,4'-difluorobenzhydryl alcohol (365-24-2)

Guidance literature:

With sodium tetrahydroborate; In methanol; at 0 ℃; for 1h; Inert atmosphere;

DOI:10.1039/c8ob01339j

Reference yield: 97.5%

Methyl formate (107-31-3) + 1-Bromo-4-fluorobenzene (460-00-4) → 4,4'-difluorobenzhydryl alcohol (365-24-2)

Guidance literature:

1-Bromo-4-fluorobenzene; With n-butyllithium; In tetrahydrofuran; hexane; at -78 ℃; for 1h; Inert atmosphere;

Methyl formate; In tetrahydrofuran; hexane; at -78 - 20 ℃; for 4.16667h; Inert atmosphere;

DOI:10.1016/j.jorganchem.2018.01.055

upstream raw materials:

4,4'-Difluorobenzophenone

1-Bromo-4-fluorobenzene

formic acid ethyl ester

4-fluorobenzaldehyde

Downstream raw materials:

2-[Bis-(4-fluoro-phenyl)-methoxy]-N,N-dimethyl-acetamide

1-[2-[Bis(4-fluorophenyl)methoxy]ethyl]pyrrolidine

2,2-bis(4-fluorophenyl)acetic acid

4,4'-difluorobenzhydryl chloride

Refernces

• 1、 Forrat, Vicente J.,Ramon, Diego J.,Yus, Miguel. "First catalytic enantioselective synthesis of the cocaine abuse therapeutic agent (S)-(+)-1-(4-{2-[bis(4-fluorophenyl)methoxy]ethyl}piperazin-1-yl)-2-phenyl-2-propanol". . p. 400 - 405. Retrieved 2007.
• 2、 -. "MAGL inhibitor as well as preparation method and application thereof". Paragraph 0027-0029. . Retrieved 2021/03/30.
• 3、 Ingleson, Michael J.,Nichol, Gary S.,Uzelac, Marina,Yuan, Kang. "Formation of a hydride containing amido-zincate using pinacolborane". supporting information. p. 14018 - 14026. Retrieved 2021/10/19.