2-Hydroxy-3-methylbenzoyl chloride

Base Information

• Chemical Name: 2-Hydroxy-3-methylbenzoyl chloride
• CAS No.: 15198-07-9
• Molecular Formula: C8H7 Cl O2
• Molecular Weight: 170.595
• Hs Code.: 2918290000
• European Community (EC) Number: 239-253-9
• DSSTox Substance ID: DTXSID40164918
• Nikkaji Number: J218.373K
• Wikidata: Q83034010
• Mol file: 15198-07-9.mol

Synonyms:2-Hydroxy-3-methylbenzoyl chloride;15198-07-9;EINECS 239-253-9;2-hydroxy-3-methylbenzoic acid chloride;SCHEMBL11527540;DTXSID40164918;AKOS009216564

Chemical Property of 2-Hydroxy-3-methylbenzoyl chloride

Chemical Property:

• Vapor Pressure: 0.0034mmHg at 25°C
• Boiling Point: 273.6°Cat760mmHg
• Flash Point: 119.3°C
• PSA: 37.30000
• Density: 1.306g/cm³
• LogP: 2.07960
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 170.0134572
• Heavy Atom Count: 11
• Complexity: 158

Purity/Quality:

98%Min ^*data from raw suppliers

2-Hydroxy-3-methylbenzoylchloride ^*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)O

Technology Process of 2-Hydroxy-3-methylbenzoyl chloride

There total 4 articles about 2-Hydroxy-3-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: 73.0%

3-methylsalicylic acid (83-40-9) → 2-hydroxy-3-methyl-benzoyl chloride (15198-07-9)

Guidance literature:

With thionyl chloride; In dichloromethane; N,N-dimethyl-formamide; Reflux;

DOI:10.1016/j.bmcl.2011.08.102

Reference yield:

thionyl chloride (7719-09-7) + 3-methylsalicylic acid (83-40-9) → 2-hydroxy-3-methyl-benzoyl chloride (15198-07-9)

Guidance literature:

Reference yield:

phosphorus pentachloride (10026-13-8,874483-75-7) + 3-methylsalicylic acid (83-40-9) → 2-hydroxy-3-methyl-benzoyl chloride (15198-07-9)

Guidance literature:

upstream raw materials:

3-methylsalicylic acid

thionyl chloride

phosphorus pentachloride

Downstream raw materials:

3-methylsalicylic acid methyl ester

ethyl 2-hydroxy-3-methylbenzoate

2-hydroxy 3-methyl benzamide

2-hydroxy-3-methyl-benzoic acid anilide