3-(3-Methylphenyl)benzaldehyde

Base Information

• Chemical Name: 3-(3-Methylphenyl)benzaldehyde
• CAS No.: 216443-78-6
• Molecular Formula: C14H12O
• Molecular Weight: 196.249
• Hs Code.: 2912299000
• European Community (EC) Number: 673-293-1
• DSSTox Substance ID: DTXSID30362744
• Wikidata: Q82146114
• Mol file: 216443-78-6.mol

Synonyms:3-(3-methylphenyl)benzaldehyde;216443-78-6;3'-Methyl-[1,1'-biphenyl]-3-carbaldehyde;3'-Methyl-biphenyl-3-carboxaldehyde;3'-methyl[1,1'-biphenyl]-3-carbaldehyde;SCHEMBL3824008;3'-methylbiphenyl-3-carbaldehyde;DTXSID30362744;AKOS004117519;FS-5490;3-(3-methylphenyl)benzaldehyde, AldrichCPR;BB 0222411;CS-0153224;FT-0643990;S10608;A815573;3-(m-tolyl)benzaldehyde

Chemical Property of 3-(3-Methylphenyl)benzaldehyde

Chemical Property:

• Boiling Point: 337.3 °C at 760 mmHg
• Flash Point: 183.6 °C
• PSA: 17.07000
• Density: 1.074g/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: 211

Purity/Quality:

98%min ^*data from raw suppliers

3''-Methyl-[1,1''-biphenyl]-3-carbaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=CC=C1)C2=CC=CC(=C2)C=O
• Uses: 3''-Methyl-[1,1''-biphenyl]-3-carbaldehyde acts as a reagent in the organic synthesis of benzoxazoles derivatives and substituted nitrobenzaldehydes.

Technology Process of 3-(3-Methylphenyl)benzaldehyde

There total 2 articles about 3-(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: 71.0%

1-chloro-3-methylbenzene (108-41-8) + m-Chlorobenzaldehyde (587-04-2) → 3'-methyl-[1,1'-biphenyl]-3-carbaldehyde (216443-78-6)

Guidance literature:

1-chloro-3-methylbenzene; With tetrahydroxydiboron; ethanol; XPhos-Pd-G₂; potassium acetate; XPhos; In water; at 80 ℃; for 15h; Inert atmosphere;

m-Chlorobenzaldehyde; With potassium carbonate; In water; at 80 ℃; for 15h; Inert atmosphere;

DOI:10.1021/jo301642v

Reference yield:

m-bromobenzoic aldehyde (3132-99-8) + m-tolylboronic acid (17933-03-8) → 3'-methyl-[1,1'-biphenyl]-3-carbaldehyde (216443-78-6)

Guidance literature:

Reference yield:

3'-methyl-[1,1'-biphenyl]-3-carbaldehyde (216443-78-6) + 4'-bromo-2'-hydroxyacetophenone (30186-18-6) → C22H17BrO2

Guidance literature:

With ethanol; potassium hydroxide; at 40 ℃; for 2h;

upstream raw materials:

m-bromobenzoic aldehyde

m-tolylboronic acid

1-chloro-3-methylbenzene

m-Chlorobenzaldehyde

Refernces

• 1、 -. "Triaromatic compounds and pharmaceutical/cosmetic compositions comprised thereof". . . Retrieved 2008/06/13.