4-Bromo-2-methylbenzaldehyde

Base Information

• Chemical Name: 4-Bromo-2-methylbenzaldehyde
• CAS No.: 24078-12-4
• Molecular Formula: C8H7BrO
• Molecular Weight: 199.047
• Hs Code.: 29122990
• European Community (EC) Number: 695-355-7
• DSSTox Substance ID: DTXSID20543702
• Nikkaji Number: J2.765.362F
• Wikidata: Q72446644
• Mol file: 24078-12-4.mol

Synonyms:4-Bromo-2-methylbenzaldehyde;24078-12-4;4-bromo-2-methyl-benzaldehyde;2-METHYL-4-BROMOBENZALDEHYDE;MFCD07787171;5-Bromo-2-formyltoluene;Benzaldehyde, 4-bromo-2-methyl-;4-Brom-2-methylbenzaldehyd;4-Bromo-2-methyl benzaldehyde;SCHEMBL1277178;DTXSID20543702;AKOS005259223;CS-W007710;PS-5606;SB36029;4-Bromo-2-methylbenzaldehyde, AldrichCPR;BL005480;SY020688;AM20050189;EN300-106816;A846971;W-206870;Z1079442722

Chemical Property of 4-Bromo-2-methylbenzaldehyde

Chemical Property:

• Vapor Pressure: 0.01mmHg at 25°C
• Refractive Index: 1.597
• Boiling Point: 264.614 °C at 760 mmHg
• Flash Point: 97.627 °C
• PSA: 17.07000
• Density: 1.49 g/cm³
• LogP: 2.57000
• Storage Temp.: Room temperature.
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 197.96803
• Heavy Atom Count: 10
• Complexity: 124

Purity/Quality:

97% ^*data from raw suppliers

4-Bromo-2-methylbenzaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=CC(=C1)Br)C=O

Technology Process of 4-Bromo-2-methylbenzaldehyde

There total 9 articles about 4-Bromo-2-methylbenzaldehyde 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: 84.2%

4-bromo-2-methylbenzonitrile (67832-11-5) → 4-bromo-2-methylbenzaldehyde (24078-12-4)

Guidance literature:

4-bromo-2-methylbenzonitrile; With diisobutylaluminium hydride; In toluene; at -78 ℃; Inert atmosphere;

With sulfuric acid; In methanol; toluene; at 20 ℃; Inert atmosphere;

DOI:10.1021/acs.jmedchem.1c00560

Reference yield: 78.0%

4-bromo-2-methylbenzyl alcohol (17100-58-2) → 4-bromo-2-methylbenzaldehyde (24078-12-4)

Guidance literature:

4-bromo-2-methylbenzyl alcohol; With oxalyl dichloride; dimethyl sulfoxide; In dichloromethane; at -78 ℃; for 0.5h; Inert atmosphere;

With triethylamine; In dichloromethane; at -78 - 20 ℃; for 12h; Inert atmosphere;

Reference yield: 64.0%

→ 4-bromo-2-methylbenzaldehyde (24078-12-4)

Guidance literature:

upstream raw materials:

N-benzenesulfonyl-N'-(4-bromo-2-methyl-benzoyl)-hydrazine

4-bromo-2-methylbenzyl alcohol

formaldoxime

4-Bromo-2-methylaniline

Downstream raw materials:

4-bromo-2-methyl-benzaldehyde-semicarbazone

4-bromo-2-methyl-trans-cinnamic acid

4-bromo-2-methyl-benzaldehyde-(2,4-dinitro-phenylhydrazone)

2-(4-bromo-2-methylphenyl)-1,3-dioxolane