2-Methoxy-5-methylbenzoyl chloride

Base Information

• Chemical Name: 2-Methoxy-5-methylbenzoyl chloride
• CAS No.: 25045-35-6
• Molecular Formula: C9H9 Cl O2
• Molecular Weight: 184.622
• Hs Code.: 2918990090
• DSSTox Substance ID: DTXSID00557620
• Wikidata: Q82439576
• Mol file: 25045-35-6.mol

Synonyms:2-Methoxy-5-methylbenzoyl chloride;25045-35-6;Benzoyl chloride, 2-methoxy-5-methyl- (9CI);SCHEMBL11365109;DTXSID00557620;AKOS005150518

Chemical Property of 2-Methoxy-5-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: 2.9
• 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:

2-Methoxy-5-methylbenzoylchloride 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Methoxy-5-methylbenzoyl chloride

There total 4 articles about 2-Methoxy-5-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:

2-methoxy-5-methylbenzoic acid (25045-36-7) → 2-methoxy-5-methylbenzoyl chloride (25045-35-6)

Guidance literature:

With phosphorus pentachloride;

Reference yield:

2-hydroxy-5-methylbenzaldehyde (613-84-3) → 2-methoxy-5-methylbenzoyl chloride (25045-35-6)

Guidance literature:

Multi-step reaction with 3 steps

1: 98 percent / K₂CO₃ / dimethylformamide / 20 h / 20 °C

2: 88 percent / 35percent aq. H₂O₂; 2M aq. KOH / methanol / 2 h / Heating

3: SOCl₂; DMF / Heating

With potassium hydroxide; thionyl chloride; potassium carbonate; N,N-dimethyl-formamide; In methanol; N,N-dimethyl-formamide;

DOI:10.1021/jm020839k

Reference yield:

2-methoxy-5-methylbenzaldehyde (7083-19-4) → 2-methoxy-5-methylbenzoyl chloride (25045-35-6)

Guidance literature:

Multi-step reaction with 2 steps

1: 88 percent / 35percent aq. H₂O₂; 2M aq. KOH / methanol / 2 h / Heating

2: SOCl₂; DMF / Heating

With potassium hydroxide; thionyl chloride; N,N-dimethyl-formamide; In methanol;

DOI:10.1021/jm020839k

upstream raw materials:

2-methoxy-5-methylbenzoic acid

2-hydroxy-5-methylbenzaldehyde

2-methoxy-5-methylbenzaldehyde

5-Methylsalicylic acid

Downstream raw materials:

2-hydroxy-4'-methoxy-5-methyl-benzophenone

2,5-Bis-(2-methoxy-5-methyl-phenyl)-3-phenylsulfanyl-furan

((S)-2-Hydroxymethyl-pyrrolidin-1-yl)-(2-methoxy-5-methyl-phenyl)-methanone

2-(2-methoxy-5-methyl-phenyl)-6-methyl-chromen-4-one

Refernces

• 1、 Huang, Chao,Xiong, Juan,Guan, Hui-Da,Wang, Chang-Hong,Lei, Xinsheng,Hu, Jin-Feng. "Discovery, synthesis, biological evaluation and molecular docking study of (R)-5-methylmellein and its analogs as selective monoamine oxidase A inhibitors". . p. 2027 - 2040. Retrieved 2019/04/10.
• 2、 Abate, Carmen,Ferorelli, Savina,Contino, Marialessandra,Marottoli, Roberta,Colabufo, Nicola Antonio,Perrone, Roberto,Berardi, Francesco. "Arylamides hybrids of two high-affinity σ2 receptor ligands as tools for the development of PET radiotracers". experimental part. p. 4733 - 4741. Retrieved 2011/11/29.