2-Bromo-3-methylbenzaldehyde

Base Information

• Chemical Name: 2-Bromo-3-methylbenzaldehyde
• CAS No.: 109179-31-9
• Molecular Formula: C8H7BrO
• Molecular Weight: 199.047
• Hs Code.: 2913000090
• European Community (EC) Number: 835-354-2
• Nikkaji Number: J2.907.982J
• Mol file: 109179-31-9.mol

Synonyms:2-Bromo-3-methylbenzaldehyde;109179-31-9;MFCD18392002;Benzaldehyde, 2-bromo-3-methyl-;2-BROMO-3-METHYL-BENZALDEHYDE;SCHEMBL1745390;CYQUDJGXCABLPN-UHFFFAOYSA-N;AKOS022646081;DS-7392;SY015546;CS-0031379;EN300-187418;A895141;Z1255464769

Chemical Property of 2-Bromo-3-methylbenzaldehyde

Chemical Property:

• Melting Point: 53-54 °C
• Boiling Point: 250.1±20.0 °C(Predicted)
• PSA: 17.07000
• Density: 1.490±0.06 g/cm3(Predicted)
• LogP: 2.57000
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• 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:

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

2-Bromo-3-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)C=O)Br

Technology Process of 2-Bromo-3-methylbenzaldehyde

There total 8 articles about 2-Bromo-3-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: 95.0%

(2-bromo-3-methylphenyl)methanol (168886-97-3) → 2-bromo-3-methyl-benzaldehyde (109179-31-9)

Guidance literature:

With pyridinium chlorochromate; In dichloromethane; at 20 ℃;

DOI:10.1016/j.crci.2017.01.005

Reference yield: 84.0%

2-bromo-3-methyl-benzonitrile (263159-64-4) → 2-bromo-3-methyl-benzaldehyde (109179-31-9)

Guidance literature:

With diisobutylaluminium hydride; In tetrahydrofuran; at -78 - 20 ℃; Inert atmosphere;

DOI:10.1002/adsc.201800629

Reference yield: 69.0%

methyl 2-bromo-3-methylbenzoate (131001-86-0) → 2-bromo-3-methyl-benzaldehyde (109179-31-9)

Guidance literature:

methyl 2-bromo-3-methylbenzoate; With diisobutylaluminium hydride; In n-heptane; toluene; at -78 ℃; for 2h;

With water; In n-heptane; dichloromethane; toluene; for 0.5h; Cooling with ice;

DOI:10.1016/j.tet.2008.08.111

upstream raw materials:

2-bromo-1-(bromomethyl)-3-methylbenzene

2-Bromo-m-xylene

methyl 2-bromo-3-methylbenzoate

(2-bromo-3-methylphenyl)methanol

Downstream raw materials:

3-methyl-2-bromobenzoic acid

1-(2-bromo-3-methylphenyl)ethanol

C₁₁H₁₁BrO₂

C₁₂H₁₄BrN₃O

Refernces

• 1、 Santra, Sourav K.,Szpilman, Alex M.. "Visible-Spectrum Solar-Light-Mediated Benzylic C-H Oxygenation Using 9,10-Dibromoanthracene As an Initiator". . p. 1164 - 1171. Retrieved 2021.
• 2、 Joussot, Jessie,Schoenfelder, Angèle,Suffert, Jean,Blond, Ga?lle. "Synthesis of original polycycles containing five-, six- and seven-membered rings through cyclocarbopalladations/C–H activation cascade reactions". . p. 665 - 681. Retrieved 2017.
• 3、 -. "5-MEMBERED HETEROARYLAMINOSULFONAMIDES FOR TREATING CONDITIONS MEDIATED BY DEFICIENT CFTR ACTIVITY". . . Retrieved 2021/05/21.