4'-Trifluoromethyl-biphenyl-3-carbaldehyde

Base Information

• Chemical Name: 4'-Trifluoromethyl-biphenyl-3-carbaldehyde
• CAS No.: 343604-24-0
• Molecular Formula: C14H9 F3 O
• Molecular Weight: 250.22
• Hs Code.: 2913000090
• European Community (EC) Number: 673-279-5
• DSSTox Substance ID: DTXSID70382229
• Wikidata: Q82173538
• ChEMBL ID: CHEMBL4519885
• Mol file: 343604-24-0.mol

Synonyms:343604-24-0;4'-Trifluoromethyl-biphenyl-3-carbaldehyde;4'-(Trifluoromethyl)-[1,1'-biphenyl]-3-carbaldehyde;3-[4-(trifluoromethyl)phenyl]benzaldehyde;4'-trifluoromethylbiphenyl-3-carbaldehyde;4'-(trifluoromethyl)[1,1'-biphenyl]-3-carbaldehyde;4'-(Trifluoromethyl)biphenyl-3-carbaldehyde;SCHEMBL1427373;CHEMBL4519885;[1,1'-Biphenyl]-3-carboxaldehyde, 4'-(trifluoromethyl)-;DTXSID70382229;AR1667;MFCD01631879;AKOS004117494;CS-W022033;DS-2031;PS-7476;4'-trifluoromethylbiphenyl-3-carboxaldehyde;BB 0222505;FT-0644468;4'-(Trifluoromethyl)biphenyl-3-carboxaldehyde;4'-(Trifluoromethyl)-biphenyl-3-carboxaldehyde;EN300-264787;4-TRIFLUOROMETHYL-BIPHENYL-3-CARBALDEHYDE;A822191;4''-TRIFLUOROMETHYL-BIPHENYL-3-CARBALDEHYDE;J-019567;J-516022;4'-trifluoromethylbiphenyl-3-carbaldehyde, AldrichCPR;F2167-3926

Chemical Property of 4'-Trifluoromethyl-biphenyl-3-carbaldehyde

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 323.8°Cat760mmHg
• Flash Point: 158.1°C
• PSA: 17.07000
• Density: 1.251g/cm³
• LogP: 4.18490
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 250.06054939
• Heavy Atom Count: 18
• Complexity: 279

Purity/Quality:

98%min ^*data from raw suppliers

4''-(Trifluoromethyl)-[1,1''-biphenyl]-3-carbaldehyde ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 43
• Safety Statements: 36/37

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4'-Trifluoromethyl-biphenyl-3-carbaldehyde

There total 2 articles about 4'-Trifluoromethyl-biphenyl-3-carbaldehyde 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: 84.0%

m-bromobenzoic aldehyde (3132-99-8) + 4-trifluoromethylphenylboronic acid (128796-39-4) → 2-(4'-(trifluoromethyl)-[1,1'-biphenyl]-3-yl)acetaldehyde (343604-24-0)

Guidance literature:

Reference yield: 71.0%

(E)-2-(4-(trifluoromethyl)styryl)oxirane → 2-(4'-(trifluoromethyl)-[1,1'-biphenyl]-3-yl)acetaldehyde (343604-24-0)

Guidance literature:

With toluene-4-sulfonic acid; triethylamine; In 1,3,5-trimethyl-benzene; at 200 ℃; for 1h; Microwave irradiation;

DOI:10.1039/c9cc09262e

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;

upstream raw materials:

m-bromobenzoic aldehyde

4-trifluoromethylphenylboronic acid

Downstream raw materials:

[3-(4'-trifluoromethyl-biphenyl-3-ylmethyl)-2,3,4,5-tetrahydro-1H-benzo[d]azepin-7-yloxy]-acetic acid ethyl ether

(4'-Trifluoromethyl-biphenyl-3-yl)-methanol

2-[4'-trifluoromethylbiphenyl-3-yl]-9-hydroxy-3H-naphtho[1,2-d]imidazole-7-carboxylic acid

C₂₄H₁₅F₃N₂OS

Refernces

• 1、 Hsu, Yu-Cheng,Wang, Vincent C.-C.,Au-Yeung, Ka-Chun,Tsai, Chung-Yu,Chang, Chun-Chi,Lin, Bo-Chao,Chan, Yi-Tsu,Hsu, Chao-Ping,Yap, Glenn P. A.,Jurca, Titel,Ong, Tiow-Gan. "One-Pot Tandem Photoredox and Cross-Coupling Catalysis with a Single Palladium Carbodicarbene Complex". supporting information. p. 4622 - 4626. Retrieved 2018/03/21.
• 2、 Yazaki, Ryo,Kumagai, Naoya,Shibasaki, Masakatsu. "Enantioselective synthesis of a GPR40 agonist AMG 837 via catalytic asymmetric conjugate addition of terminal alkyne to α,β-unsaturated thioamide". supporting information; experimental part. p. 952 - 955. Retrieved 2011/04/25.