4-Fluoro-alpha-cyclopropyl-alpha-(4-fluorophenyl)-benzylic alcohol

Base Information

• Chemical Name: 4-Fluoro-alpha-cyclopropyl-alpha-(4-fluorophenyl)-benzylic alcohol
• CAS No.: 427-53-2
• Molecular Formula: C16H14 F2 O
• Molecular Weight: 260.283
• Hs Code.: 2906299090
• European Community (EC) Number: 207-049-9
• NSC Number: 78476
• DSSTox Substance ID: DTXSID50195394
• Nikkaji Number: J196.108J
• Wikidata: Q83068303
• ChEMBL ID: CHEMBL1984266
• Mol file: 427-53-2.mol

Synonyms:427-53-2;4-Fluoro-alpha-cyclopropyl-alpha-(4-fluorophenyl)-benzylic alcohol;cyclopropyl-bis(4-fluorophenyl)methanol;EINECS 207-049-9;alpha-Cyclopropyl-4-fluoro-alpha-(4-fluorophenyl)benzenemethanol;NSC78476;Cyclopropyl[di(4-fluorophenyl)]methanol;SCHEMBL5637052;CHEMBL1984266;C16H14F2O;DTXSID50195394;MFCD00019239;NSC 78476;NSC-78476;cyclopropyl-bis-(4-fluorophenyl)methanol;NCI60_041731;FT-0622137;4-fluoro-alpha-cyclopropyl-alpha-(4-fluorophenyl)-benzylicalcohol

Chemical Property of 4-Fluoro-alpha-cyclopropyl-alpha-(4-fluorophenyl)-benzylic alcohol

Chemical Property:

• Vapor Pressure: 5.48E-06mmHg at 25°C
• Boiling Point: 365.6°Cat760mmHg
• PKA: 13.34±0.29(Predicted)
• Flash Point: 174.9°C
• PSA: 20.23000
• Density: 1.292g/cm³
• LogP: 3.61070
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 260.10127139
• Heavy Atom Count: 19
• Complexity: 278

Purity/Quality:

99% ^*data from raw suppliers

CYCLOPROPYL[DI(4-FLUOROPHENYL)]METHANOL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC1C(C2=CC=C(C=C2)F)(C3=CC=C(C=C3)F)O

Technology Process of 4-Fluoro-alpha-cyclopropyl-alpha-(4-fluorophenyl)-benzylic alcohol

There total 2 articles about 4-Fluoro-alpha-cyclopropyl-alpha-(4-fluorophenyl)-benzylic 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: 80.0%

cyclopropylmagnesium bromide (23719-80-4) + 4,4'-Difluorobenzophenone (345-92-6) → cyclopropylbis(4-fluorophenyl)methanol (427-53-2)

Guidance literature:

In tetrahydrofuran; at 0 - 20 ℃; Inert atmosphere;

DOI:10.1021/jo102374z

Reference yield:

ethyl cyclopropylcarboxylate (4606-07-9) + 4-flourophenylmagnesium bromide (352-13-6) → cyclopropylbis(4-fluorophenyl)methanol (427-53-2)

Guidance literature:

DOI:10.1002/hlca.19540370738

Reference yield:

4,4-bis-(4-fluorophenyl-3-butenylchloride + 1,1-bis-(4-fluorophenyl)-3-butenylchloride + cyclopropylbis(4-fluorophenyl)methanol (427-53-2) + 1-Bromo-4-fluorobenzene (460-00-4) → 4-chloro-1,1-bis(4-fluorophenyl)butane (3312-04-7)

Guidance literature:

With thionyl chloride; hydrogen; palladium; In benzene;

upstream raw materials:

ethyl cyclopropylcarboxylate

4-flourophenylmagnesium bromide

cyclopropylmagnesium bromide

4,4'-Difluorobenzophenone

Downstream raw materials:

4-chloro-1,1-bis(4-fluorophenyl)butane

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