2-Chloro-3-methylbenzaldehyde

Base Information

• Chemical Name: 2-Chloro-3-methylbenzaldehyde
• CAS No.: 61563-28-8
• Molecular Formula: C8H7ClO
• Molecular Weight: 154.596
• Hs Code.: 2913000090
• DSSTox Substance ID: DTXSID50560942
• Wikidata: Q82444597
• Mol file: 61563-28-8.mol

Synonyms:2-Chloro-3-methylbenzaldehyde;61563-28-8;2-CHLORO-3-METHYLBENZAL DEHYDE;MFCD11845907;2-chloro-3-methylbenzaldehye;2-chloro-3-methyl-benzaldehyde;SCHEMBL5313673;DTXSID50560942;LGOLMLQWRYFRHP-UHFFFAOYSA-N;AKOS006345554;DS-8875;SY030838;CS-0036697;A833304

Chemical Property of 2-Chloro-3-methylbenzaldehyde

Chemical Property:

• Vapor Pressure: 0.074mmHg at 25°C
• Boiling Point: 228.394oC at 760 mmHg
• Flash Point: 103.272oC
• PSA: 17.07000
• Density: 1.195g/cm3
• LogP: 2.46090
• 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: 154.0185425
• Heavy Atom Count: 10
• Complexity: 124

Purity/Quality:

97% ^*data from raw suppliers

2-Chloro-3-methylbenzaldehyde 95.0% ^*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)Cl

Technology Process of 2-Chloro-3-methylbenzaldehyde

There total 12 articles about 2-Chloro-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%

2,6-dimethyl-1-chlorobenzene (6781-98-2) → 2-chloro-3-methylbenzaldehyde (61563-28-8) + 2-chloro-3-methylbenzoic acid (15068-35-6)

Guidance literature:

With oxygen; potassium bromide; at 70 - 75 ℃; under 750.075 - 3750.38 Torr; Autoclave;

Reference yield: 91.4%

(2-chloro-3-methylphenyl)methanol (61563-27-7) → 2-chloro-3-methylbenzaldehyde (61563-28-8)

Guidance literature:

With oxalyl dichloride; dimethyl sulfoxide; In dichloromethane; at -78 ℃; for 0.25h;

(2-chloro-3-methylphenyl)methanol; In dichloromethane; for 0.5h;

With triethylamine; In dichloromethane; at 20 ℃; for 1h;

Reference yield: 77.0%

1-(bromomethyl)-2-chloro-3-methylbenzene (134271-45-7) → 2-chloro-3-methylbenzaldehyde (61563-28-8)

Guidance literature:

With 2-nitropropane; sodium ethanolate; In ethanol; Heating;

DOI:10.1016/0022-328X(91)86224-E

upstream raw materials:

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

3-methylpent-3-en-2-one

N,N-dimethyl-formamide

2,6-dimethyl-1-chlorobenzene

Downstream raw materials:

1-((1H-pyrazol-4-yl)methyl)-6-hydroxy-5-((4-((6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl)amino)piperidin-1-yl)methyl)-1H-indole-2-carbonitrile