2-Methoxy-4-methylbenzoyl chloride

Base Information

• Chemical Name: 2-Methoxy-4-methylbenzoyl chloride
• CAS No.: 51671-69-3
• Molecular Formula: C9H9ClO2
• Molecular Weight: 184.622
• Hs Code.: 2918990090
• DSSTox Substance ID: DTXSID60553103
• Wikidata: Q82433610
• Mol file: 51671-69-3.mol

Synonyms:2-Methoxy-4-methylbenzoyl chloride;51671-69-3;Benzoyl chloride, 2-methoxy-4-methyl- (9CI);SCHEMBL11756782;DTXSID60553103;ZXHHHBPLVWGPPX-UHFFFAOYSA-N;MFCD11111051;AKOS000297425;SY353743;E90074

Chemical Property of 2-Methoxy-4-methylbenzoyl chloride

Chemical Property:

• Boiling Point: 282.7±20.0 °C(Predicted)
• PSA: 26.30000
• Density: 1.182±0.06 g/cm3(Predicted)
• LogP: 2.38260
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 184.0291072
• Heavy Atom Count: 12
• Complexity: 170

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Methoxy-4-methylbenzoyl chloride

There total 5 articles about 2-Methoxy-4-methylbenzoyl chloride 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-methoxy-4-methylbenzoic acid (704-45-0) → 2-Methoxy-4-methylbenzoyl chloride (51671-69-3)

Guidance literature:

With oxalyl dichloride; N,N-dimethyl-formamide; In dichloromethane; at 0 - 20 ℃; Inert atmosphere;

DOI:10.1016/j.tetlet.2019.151004

Reference yield:

2-hydroxy-p-toluic acid (50-85-1) → 2-Methoxy-4-methylbenzoyl chloride (51671-69-3)

Guidance literature:

Multi-step reaction with 2 steps

1.1: sodium hydroxide / water / 0.5 h / 37 °C / pH 10

1.2: 2.25 h / 80 °C / pH 7 - 10

2.1: N,N-dimethyl-formamide; thionyl chloride / dichloromethane / 0.5 h / 40 °C

With thionyl chloride; N,N-dimethyl-formamide; sodium hydroxide; In dichloromethane; water;

Reference yield:

N,N-diethyl-2-methoxy-4-methylbenzamide (111210-20-9) → 2-Methoxy-4-methylbenzoyl chloride (51671-69-3)

Guidance literature:

With thionyl chloride; N,N-dimethyl-formamide; at 25 ℃;

DOI:10.1021/jo0508898

upstream raw materials:

2-methoxy-4-methylbenzoic acid

N,N-diethyl-2-methoxy-4-methylbenzamide

2,5-Dimethyl-anisol

2-hydroxy-p-toluic acid

Downstream raw materials:

methyl 4-methyl-2-methoxybenzoate

1-(2-methoxy-4-methyl-phenyl)-propan-1-one

1-(2-Methoxy-4-methylphenyl)-1,3-butanedione

N,N-diethyl-2-methoxy-4-methylbenzamide