4-(2-Methylphenyl)benzaldehyde

Base Information

• Chemical Name: 4-(2-Methylphenyl)benzaldehyde
• CAS No.: 108934-21-0
• Molecular Formula: C14H12O
• Molecular Weight: 196.249
• Hs Code.: 2912299000
• European Community (EC) Number: 672-171-5
• DSSTox Substance ID: DTXSID00362695
• Nikkaji Number: J959.119B
• Wikidata: Q82146013
• Mol file: 108934-21-0.mol

Synonyms:108934-21-0;4-(2-Methylphenyl)benzaldehyde;2'-Methyl-biphenyl-4-carbaldehyde;2'-Methyl-[1,1'-biphenyl]-4-carbaldehyde;2'-methylbiphenyl-4-carbaldehyde;2'-methyl-4-biphenylcarbaldehyde;p-tolylbenzaldehyde;p-tolyl benzaldehyde;SCHEMBL1313610;DTXSID00362695;2'-Methyl-biphenyl-4-carboxaldehyde;4-formyl-2'-methyl-1,1'-biphenyl;AR2072;MFCD01631915;AKOS000303366;AS-2128;2'-methyl[1,1'-biphenyl]-4-carbaldehyde;2'-methyl-[1,1'-bipheny1]-4-carbaldehyde;BB 0221323;CS-0152963;FT-0642667;2'-methyl-[1,1'-biphenyl]-4-carboxaldehyde;2'-methyl-biphenyl-4-carboxaldehyde, AldrichCPR;A801942

Chemical Property of 4-(2-Methylphenyl)benzaldehyde

Chemical Property:

• Boiling Point: 321.9 °C at 760 mmHg
• Flash Point: 164.6 °C
• PSA: 17.07000
• Density: 1.074 g/cm³
• LogP: 3.47450
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• 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:

97% ^*data from raw suppliers

2''-Methyl-biphenyl-4-carbaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,N,Xn
• Statements: 22-36-51/53
• Safety Statements: 26-61

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=CC=C1C2=CC=C(C=C2)C=O
• Uses: 2''-Methyl-biphenyl-4-carbaldehyde is a diaryl compound that is used as a building block in chemistry. It is synthesized via palladium-catalyzed Suzuki-Miyaura cross-coupling of aryl halides with arylboronic acids.

Technology Process of 4-(2-Methylphenyl)benzaldehyde

There total 15 articles about 4-(2-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%

2-Methylphenylboronic acid (16419-60-6) + 4-chlorobenzaldehyde (104-88-1) → 4-(2'-methylphenyl)benzaldehyde (108934-21-0)

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%

2-Methylphenylboronic acid (16419-60-6) + 4-bromo-benzaldehyde (1122-91-4) → 4-(2'-methylphenyl)benzaldehyde (108934-21-0)

Guidance literature:

With C₁₈H₁₇Cl₂N₃Pd; caesium carbonate; In water; N,N-dimethyl-formamide; at 100 ℃; for 3h;

DOI:10.1002/ejic.200800154

Reference yield: 94.0%

2-Methylphenylboronic acid (16419-60-6) + p-(iodophenyl)carboxaldehyde (15164-44-0) → 4-(2'-methylphenyl)benzaldehyde (108934-21-0)

Guidance literature:

With potassium phosphate; In 1,4-dioxane; at 70 ℃; for 1.5h;

DOI:10.1002/aoc.6158

upstream raw materials:

2-Methylphenylboronic acid

4-chlorobenzaldehyde

bis(2-methylphenyl)borinic acid

4-bromo-benzaldehyde

Downstream raw materials:

(S)-2-(2'-methyl-[1,1'-biphenyl]-4-yl)-6-nitro-2,3-dihydroquinazolin-4(1H)-one

(E)-2-methyl-4'-styryl-1,1'-biphenyl