(4'-Trifluoromethylbiphenyl-3-yl)methanol

Base Information

• Chemical Name: (4'-Trifluoromethylbiphenyl-3-yl)methanol
• CAS No.: 126485-55-0
• Molecular Formula: C₁₄H₁₁F₃O
• Molecular Weight: 252.236
• DSSTox Substance ID: DTXSID30560662
• Wikidata: Q82444135
• Mol file: 126485-55-0.mol

Synonyms:126485-55-0;(4'-Trifluoromethylbiphenyl-3-yl)methanol;(4'-(trifluoromethyl)-[1,1'-biphenyl]-3-yl)methanol;[3-[4-(Trifluoromethyl)phenyl]phenyl]methanol;(4'-Trifluoromethyl-biphenyl-3-yl)-methanol;(4/'-TRIFLUOROMETHYLBIPHENYL-3-YL)-METHANOL;[4'-(Trifluoromethyl)[1,1'-biphenyl]-3-yl]methanol;4'-(Trifluoromethyl)biphenyl-3-methanol;SCHEMBL2244213;DTXSID30560662;AKOS004116810;3-(4-Trifluoromethylphenyl)-benzyl alcohol;(4'-(trifluoromethyl)biphenyl-3-yl)methanol;[4'-(Trifluoromethyl)-3-biphenylyl]methanol;[1,1'-Biphenyl]-3-methanol, 4'-(trifluoromethyl)-

Chemical Property of (4'-Trifluoromethylbiphenyl-3-yl)methanol

Chemical Property:

• XLogP3: 3.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 252.07619946
• Heavy Atom Count: 18
• Complexity: 256

Purity/Quality:

98%min ^*data from raw suppliers

(4'-(Trifluoromethyl)-[1,1'-biphenyl]-3-yl)methanol 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)C2=CC=C(C=C2)C(F)(F)F)CO

Technology Process of (4'-Trifluoromethylbiphenyl-3-yl)methanol

There total 15 articles about (4'-Trifluoromethylbiphenyl-3-yl)methanol 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: 100.0%

2-(4'-(trifluoromethyl)-[1,1'-biphenyl]-3-yl)acetaldehyde (343604-24-0) → (4'-Trifluoromethyl-biphenyl-3-yl)-methanol (126485-55-0)

Guidance literature:

With sodium tetrahydroborate;

Reference yield: 99.0%

4'-(trifluoromethyl)[1,1'-biphenyl]-3-carboxylic acid (199528-28-4) → (4'-Trifluoromethyl-biphenyl-3-yl)-methanol (126485-55-0)

Guidance literature:

With sodium tetrahydroborate; boron trifluoride-tetrahydrofuran complex; Trimethyl borate; In tetrahydrofuran; at 41 - 49 ℃; for 4h; Large scale reaction;

DOI:10.1021/op1003055

Reference yield: 95.0%

4-chlorobenzotrifluoride (98-56-6) + [3-(hydroxymethyl)phenyl]boronic acid (87199-15-3) → (4'-Trifluoromethyl-biphenyl-3-yl)-methanol (126485-55-0)

Guidance literature:

With potassium phosphate; tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; tricyclohexylphosphine; In tetrahydrofuran; water; at 65 ℃; for 20h; Inert atmosphere;

DOI:10.1021/op1003055

upstream raw materials:

3-iodobenzylalcohol

(difluoro)<4-(trifluoromethyl)phenyl>(n-propyl)silane

4-trifluoromethylphenylboronic acid

4-(4-Carboxy-butoxy)-benzoic acid 3-iodo-benzyl ester

Downstream raw materials:

ethyl 3-[2-methyl-4-({[4'-(trifluoromethyl)-3-biphenylyl]methyl}oxy)phenyl]propanoate

(3S)-3-[4-(4'-trifluoromethyl-biphenyl-3-ylmethoxy)-phenyl]-hex-4-ynoic acid methyl ester

(R)-methyl 3-(4-((4'-(trifluoromethyl)-[1,1'-biphenyl]-3-yl)methoxy)phenyl)pent-4-ynoate

[3H]-AMG 837