Methyl anthracene-2-carboxylate

Base Information

• Chemical Name: Methyl anthracene-2-carboxylate
• CAS No.: 25308-60-5
• Molecular Formula: C16H12O2
• Molecular Weight: 236.26500
• Hs Code.: 2916399090
• DSSTox Substance ID: DTXSID70507152
• Nikkaji Number: J88.340I
• Wikidata: Q82363214
• Mol file: 25308-60-5.mol

Synonyms:METHYL ANTHRACENE-2-CARBOXYLATE;25308-60-5;methyl 2-anthracenecarboxylate;2-Anthracenecarboxylic acid, methyl ester;SCHEMBL18288017;DTXSID70507152;Anthracene-2-carboxylic acid methyl ester

Chemical Property of Methyl anthracene-2-carboxylate

Chemical Property:

• PSA: 26.30000
• LogP: 3.77960
• XLogP3: 4.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 236.083729621
• Heavy Atom Count: 18
• Complexity: 312

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=CC2=CC3=CC=CC=C3C=C2C=C1

Technology Process of Methyl anthracene-2-carboxylate

There total 7 articles about Methyl anthracene-2-carboxylate 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: 96.0%

methanol (67-56-1) + 2-anthroic acid (613-08-1) → methyl 2-anthroate (25308-60-5)

Guidance literature:

With sulfuric acid;

DOI:10.3987/COM-06-S(K)4

Reference yield: 79.0%

methyl 1,4-epoxy-1,2,3,4-tetrahydro-2-anthracenecarboxylate (103668-70-8) → methyl 2-anthroate (25308-60-5)

Guidance literature:

With hydrogenchloride; for 1h; Heating;

DOI:10.1021/jo00370a004

Reference yield:

anthraquinone-2-carboxylic acid (117-78-2) → methyl 2-anthroate (25308-60-5)

Guidance literature:

Multi-step reaction with 2 steps

1: 61 percent / zinc, aq. ammonia

2: 1.) thionyl chloride

With ammonium hydroxide; thionyl chloride; zinc;

DOI:10.1246/bcsj.67.891

upstream raw materials:

methanol

2-anthroic acid

methyl 1,4-epoxy-1,2,3,4-tetrahydro-2-anthracenecarboxylate

anthraquinone-2-carboxylic acid

Downstream raw materials:

2-(iodomethyl)anthracene