Methyl 2,3-dimethylbenzoate

Base Information

• Chemical Name: Methyl 2,3-dimethylbenzoate
• CAS No.: 15012-36-9
• Molecular Formula: C10H12 O2
• Molecular Weight: 164.204
• Hs Code.: 2916399090
• DSSTox Substance ID: DTXSID60164475
• Nikkaji Number: J526.208I
• Wikidata: Q72490247
• Mol file: 15012-36-9.mol

Synonyms:METHYL 2,3-DIMETHYLBENZOATE;15012-36-9;Benzoic acid, 2,3-dimethyl-, methyl ester;Benzoic acid, dimethyl-, methyl ester;2,3-DIMETHYLBENZOIC ACID METHYL ESTER;MFCD06203773;xylic methyl ester;SCHEMBL524457;DTXSID60164475;METHYL2,3-DIMETHYLBENZOATE;CK1189;AKOS008905010;CS-W006309;2,3-(CH3)2-C6H3-COOCH3;AC-28520;SY004803;TS-02196;FT-0727882;EN300-216906;A856830

Chemical Property of Methyl 2,3-dimethylbenzoate

Chemical Property:

• Vapor Pressure: 0.0544mmHg at 25°C
• Boiling Point: 233.9°Cat760mmHg
• Flash Point: 101.4°C
• PSA: 26.30000
• Density: 1.027g/cm³
• LogP: 2.09000
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 164.083729621
• Heavy Atom Count: 12
• Complexity: 165

Purity/Quality:

98%min ^*data from raw suppliers

2,3-DimethylbenzoicAcidMethylEster ^*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)OC)C
• Uses: 2,3-Dimethylbenzoic Acid Methyl Ester is a useful synthetic intermediate in the synthesis of 2,3-Dihydro-1H-isoindole-4-carboxylic Acid (D450070); a reagent used in the synthesis of aminoalkylbenzoic acid derivatives for the treatment of faintness attacks, hypokinesia, cranial disorders, neurodegenerative disorders, depression, anxiety, neuropathic pain, neuropathological disorders and sleep disorders.

Technology Process of Methyl 2,3-dimethylbenzoate

There total 11 articles about Methyl 2,3-dimethylbenzoate 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: 98.0%

methanol (67-56-1) + 2,3-dimethylbenzoic acid (603-79-2) → methyl 2,3-dimethylbenzoate (15012-36-9)

Guidance literature:

With thionyl chloride; Heating / reflux;

Reference yield:

3-methylbenzocyclobutenone (62708-44-5) + sodium methylate (124-41-4) → methyl 2,3-dimethylbenzoate (15012-36-9) + methyl o-tolylacetate (40851-62-5)

Guidance literature:

In methanol; at 65 ℃; for 2h; Yield given. Yields of byproduct given;

DOI:10.1002/hlca.19980810207

Reference yield:

methyl iodide (74-88-4) + 2,3-dimethylbenzoic acid (603-79-2) → methyl 2,3-dimethylbenzoate (15012-36-9)

Guidance literature:

With caesium carbonate; In N,N-dimethyl-formamide; at 20 ℃; for 2h;

upstream raw materials:

methyl 1,2-dimethylcyclohexa-2,5-diene-1-carboxylate

2,3-dimethylbromobenzene

carbonic acid dimethyl ester

methanol

Downstream raw materials:

methyl 5-(chloromethyl)-2,3-dimethylbenzoate

C₁₀H₁₁BrO₂

methyl 2,3-dimethyl-5-nitrobenzoate

acide dimethyl-2,3 nitro-5 benzoique

Refernces

• 1、 -. "ISOINDOLINE COMPOSITIONS AND METHODS FOR TREATING NEURODEGENERATIVE DISEASE". Paragraph 0503; 0505. . Retrieved 2015/09/23.
• 2、 -. "COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY". Page/Page column 59. . Retrieved 2012/02/06.