2-(Acetyloxy)-6-methylbenzoic acid

Base Information

• Chemical Name: 2-(Acetyloxy)-6-methylbenzoic acid
• CAS No.: 31490-86-5
• Molecular Formula: C10H10 O4
• Molecular Weight: 194.18
• Hs Code.: 2918990090
• DSSTox Substance ID: DTXSID80413573
• Wikidata: Q82221791
• Mol file: 31490-86-5.mol

Synonyms:2-(Acetyloxy)-6-methylbenzoic acid;31490-86-5;2-acetyloxy-6-methylbenzoic acid;2-Acetoxy-6-methylbenzoic acid;2-Acetoxy-6-methylbenzoicacid;SCHEMBL9364224;DTXSID80413573;MFCD11505012;AKOS006326091;TS-02753

Chemical Property of 2-(Acetyloxy)-6-methylbenzoic acid

Chemical Property:

• PSA: 63.60000
• LogP: 1.61850
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 194.05790880
• Heavy Atom Count: 14
• Complexity: 236

Purity/Quality:

2-(Acetyloxy)-6-methylbenzoic acid 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-(Acetyloxy)-6-methylbenzoic acid

There total 3 articles about 2-(Acetyloxy)-6-methylbenzoic acid 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-hydroxy-6-methylbenzoic acid (567-61-3) + acetic anhydride (108-24-7) → 2-acetoxy-6-methylbenzoic acid (31490-86-5)

Guidance literature:

With pyridine;

Reference yield:

2-bromo-3-methylphenol (22061-78-5) → 2-acetoxy-6-methylbenzoic acid (31490-86-5)

Guidance literature:

Multi-step reaction with 2 steps

1: butyl lithium; diethyl ether / anschliessendes Behandeln mit CO₂

2: H₂SO₄

With n-butyllithium; diethyl ether; sulfuric acid;

DOI:10.1021/jo50018a010

Reference yield:

→ 2-acetoxy-6-methylbenzoic acid (31490-86-5)

Guidance literature:

2-Hydroxy-6-methyl-benzoic acid, Ac2O, Py.;

upstream raw materials:

2-hydroxy-6-methylbenzoic acid

acetic anhydride

2-bromo-3-methylphenol

Downstream raw materials:

Acetic acid 2-chlorocarbonyl-3-methyl-phenyl ester

2-formyl-6-hydroxy-benzoic acid

methyl 2-acetoxy-6-methylbenzoate

Refernces