4-(3-Methylphenyl)benzaldehyde

Base Information

• Chemical Name: 4-(3-Methylphenyl)benzaldehyde
• CAS No.: 400744-83-4
• Molecular Formula: C14H12O
• Molecular Weight: 196.249
• Hs Code.: 2912299000
• European Community (EC) Number: 672-169-4
• DSSTox Substance ID: DTXSID20374917
• Nikkaji Number: J2.805.384C
• Wikidata: Q82163490
• Mol file: 400744-83-4.mol

Synonyms:400744-83-4;4-(3-methylphenyl)benzaldehyde;3'-Methyl-[1,1'-biphenyl]-4-carbaldehyde;3'-methylbiphenyl-4-carbaldehyde;3'-methyl-biphenyl-4-carbaldehyde;3'-methylbiphenyl-4-carboxaldehyde;3'-Methyl-biphenyl-4-carboxaldehyde;[1,1'-Biphenyl]-4-carboxaldehyde,3'-methyl-;[1,1'-Biphenyl]-4-carboxaldehyde, 3'-methyl-;4-(m-Tolyl)benzaldehyde;3'-methylbiphenyl-4-aldehyde;SCHEMBL1312966;DTXSID20374917;LUJIYJCRJKYCRK-UHFFFAOYSA-N;AMY17744;MFCD03424618;AKOS000805678;4-Benzyloxyphenyl4-HydroxyphenylSulfone;AS-2130;NCGC00373963-01;3'-methyl[1,1'-biphenyl]-4-carbaldehyde;BB 0220522;FT-0644580;3'-methyl [1,1'-biphenyl]-4-carboxaldehyde;EN300-235656;A824893;F9995-0539

Chemical Property of 4-(3-Methylphenyl)benzaldehyde

Chemical Property:

• Melting Point: 45-49℃
• Boiling Point: 332.9 °C at 760 mmHg
• Flash Point: 178.2 °C
• PSA: 17.07000
• Density: 1.074 g/cm³
• LogP: 3.47450
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Sensitive.: Air Sensitive
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 196.088815002
• Heavy Atom Count: 15
• Complexity: 203

Purity/Quality:

98%min ^*data from raw suppliers

4-Formyl-3''-methyl-1,1''-biphenyl ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=CC=C1)C2=CC=C(C=C2)C=O
• Uses: 4-Formyl-3''-methyl-1,1''-biphenyl acts as a reagent in the preparation of cyclodextrin-supported palladium complex that efficiently catalysis Suzuki-Miyaura cross coupling reactions.

Technology Process of 4-(3-Methylphenyl)benzaldehyde

There total 13 articles about 4-(3-Methylphenyl)benzaldehyde 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: 97.0%

→ 3'-methyl-[1,1'-biphenyl]-4-carbaldehyde (400744-83-4)

Guidance literature:

With C₂₈H₃₄ClN₃O₅Pd; sodium carbonate; In water; N,N-dimethyl-formamide; at 25 ℃; for 0.666667h;

Reference yield: 96.0%

m-tolylboronic acid (17933-03-8) + 4-chlorobenzaldehyde (104-88-1) → 3'-methyl-[1,1'-biphenyl]-4-carbaldehyde (400744-83-4)

Guidance literature:

With potassium tert-butylate; C₆₁H₉₀Cl₄N₆Pd₂; In ethanol; at 27 ℃; for 0.5h; Sealed tube;

DOI:10.1002/aoc.5870

Reference yield: 95.0%

m-tolylboronic acid (17933-03-8) + 4-bromo-benzaldehyde (1122-91-4) → 3'-methyl-[1,1'-biphenyl]-4-carbaldehyde (400744-83-4)

Guidance literature:

With caesium carbonate; In water; at 80 ℃; for 6h; Sealed tube; Green chemistry;

DOI:10.1002/aoc.3592

upstream raw materials:

m-tolylboronic acid

4-bromo-benzaldehyde

4-chlorobenzaldehyde

methanesulfonic acid 4-formylphenyl ester

Refernces

• 1、 Ghaderi, Arash,Kambe, Nobuaki,Le, Liyuan,Lu, Hao,Qiu, Renhua,Tang, Ting,Tong, Zhou,Wong, Wai-Yeung,Xu, Zhi,Yin, Shuang-Feng,Zeng, Dishu,Zhang, Dejiang,Zhang, Zhao. "Nickel- and Palladium-Catalyzed Cross-Coupling of Stibines with Organic Halides: Site-Selective Sequential Reactions with Polyhalogenated Arenes". . p. 854 - 867. Retrieved 2022/01/19.
• 2、 Zhang, Dejiang,Le, Liyuan,Qiu, Renhua,Wong, Wai-Yeung,Kambe, Nobuaki. "Nickel- and Palladium-Catalyzed Cross-Coupling Reactions of Organostibines with Organoboronic Acids". supporting information. p. 3104 - 3114. Retrieved 2020/12/11.