4'-Trifluoromethyl-biphenyl-4-carbaldehyde

Base Information

• Chemical Name: 4'-Trifluoromethyl-biphenyl-4-carbaldehyde
• CAS No.: 90035-34-0
• Molecular Formula: C14H9F3O
• Molecular Weight: 250.22
• Hs Code.: 2913000090
• DSSTox Substance ID: DTXSID80382230
• Nikkaji Number: J1.149.673C
• Wikidata: Q72511822
• Mol file: 90035-34-0.mol

Synonyms:90035-34-0;4'-Trifluoromethyl-biphenyl-4-carbaldehyde;4'-Trifluoromethylbiphenyl-4-carbaldehyde;4-[4-(trifluoromethyl)phenyl]benzaldehyde;4'-(Trifluoromethyl)[1,1'-Biphenyl]-4-Carbaldehyde;4'-(TRIFLUOROMETHYL)BIPHENYL-4-CARBALDEHYDE;4-(4-Trifluoromethylphenyl)benzaldehyde;MFCD01862519;4'-(trifluoromethyl)-[1,1'-biphenyl]-4-carboxaldehyde;4'-Trifluoromethylbiphenyl-4-carboxaldehyde;4 inverted exclamation mark -Trifluoromethylbiphenyl-4-carbaldehyde;4'-(trifluoromethyl)-[1,1'-biphenyl]-4-carbaldehyde;4'-(trifluoromethyl)-1,1'-biphenyl-4-carbaldehyde;SCHEMBL2268468;[1,1'-Biphenyl]-4-carboxaldehyde, 4'-(trifluoromethyl)-;DTXSID80382230;CS-M1756;AR2060;BBL101969;STL555766;AKOS004114020;p-(4-trifluoromethylphenyl)benzaldehyde;SB17872;4-(4-trifluoromethylphenyl)-benzaldehyde;AC-25490;SY033563;4'-trifluoromethylbiphenyl-4-carboaldehyde;4`-Trifluoromethyl-biphenyl-4-carbaldehyde;4'-(trifluoromethyl)-4-biphenylcarbaldehyde;4\'-Trifluoromethyl-biphenyl-4-carbaldehyde;AM20041359;BB 0222529;FT-0600775;T3755;4'-(Trifluoromethyl)-Biphenyl-4-Carboxaldehyde;10Z-0702;4'-Trifluoromethyl-1,1'-biphenyl-4-carboxaldehyde;J-516023;4'-(Trifluoromethyl)[1,1'-biphenyl]-4-carboxaldehyde;4 inverted exclamation mark -(Trifluoromethyl)biphenyl-4-carbaldehyde

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

Chemical Property:

• Appearance/Colour: off-white solid
• Melting Point: 70-72 °C
• Boiling Point: 319.678 °C at 760 mmHg
• Flash Point: 156.624 °C
• PSA: 17.07000
• Density: 1.252 g/cm³
• LogP: 4.18490
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 250.06054939
• Heavy Atom Count: 18
• Complexity: 271

Purity/Quality:

98%,99%, ^*data from raw suppliers

4'-Trifluoromethylbiphenyl-4-carbaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C=O)C2=CC=C(C=C2)C(F)(F)F

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

There total 16 articles about 4'-Trifluoromethyl-biphenyl-4-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: 96.0%

4-trifluoromethylphenylboronic acid (128796-39-4) + 4-bromo-benzaldehyde (1122-91-4) → 4-(4-trifluoromethylphenyl)benzaldehyde (90035-34-0)

Guidance literature:

4-trifluoromethylphenylboronic acid; 4-bromo-benzaldehyde; In propan-1-ol; at 70 ℃; for 0.25h;

With water; sodium carbonate; palladium diacetate; triphenylphosphine; In propan-1-ol; for 1h; Reflux;

Reference yield: 95.0%

[4-(trifluoromethyl)phenyl](triphenylphosphine)gold(I) (1130440-65-1) + 4-bromo-benzaldehyde (1122-91-4) → 4-(4-trifluoromethylphenyl)benzaldehyde (90035-34-0)

Guidance literature:

With dichlorobis(tricyclohexylphosphine)nickel(II); In benzene; at 25 ℃; for 1h;

DOI:10.1021/om200060x

Reference yield: 94.0%

4-trifluoromethylphenylboronic acid (128796-39-4) + 4-hydroxy-benzaldehyde (123-08-0,65581-83-1) → 4-(4-trifluoromethylphenyl)benzaldehyde (90035-34-0)

Guidance literature:

4-hydroxy-benzaldehyde; With fluorosulfonyl fluoride; triethylamine; In ethanol; water; at 20 ℃; for 4h;

4-trifluoromethylphenylboronic acid; With palladium diacetate; triethylamine; In ethanol; water; at 20 ℃; for 6h;

upstream raw materials:

4-Iodobenzotrifluoride

4-formylphenylboronic acid,

4-bromo-benzaldehyde

p-trifluoromethylphenyl bromide

Downstream raw materials:

N'-((4'-trifluoromethylbiphenyl-4-yl)methyl)sulfonic hydrazide

C₂₃H₂₄F₃NO₄

(1R,2R)-methyl 1-amino-2-(4'-trifluoromethylbipheny-4-yl)cyclopropanecarboxylate

(1R,2R)-methyl 1-((S)-2-(tert-butoxycarbonylamino)butanamido)-2-(4'-trifluoromethylbiphenyl-4-yl)cyclopropanecarboxylate

Refernces

• 1、 Nam, Min-Ho,Park, Jong-Hyun,Song, Hyo Jung,Choi, Ji Won,Kim, Siwon,Jang, Bo Ko,Yoon, Hyung Ho,Heo, Jun Young,Lee, Hyowon,An, Heeyoung,Kim, Hyeon Jeong,Park, Sun Jun,Cho, Doo-Wan,Yang, Young-Su,Han, Su-Cheol,Kim, Sangwook,Oh, Soo-Jin,Jeon, Sang Ryong,Park, Ki Duk,Lee, C. Justin. "KDS2010, a Newly Developed Reversible MAO-B Inhibitor, as an Effective Therapeutic Candidate for Parkinson’s Disease". . p. 1729 - 1747. Retrieved 2021/10/08.
• 2、 -. "Oxazolidinone compound as well as preparation method, application and pharmaceutical composition thereof". Paragraph 0108-0110. . Retrieved 2020/11/05.