Methyl 2,3-dimethoxybenzoate

Base Information

• Chemical Name: Methyl 2,3-dimethoxybenzoate
• CAS No.: 2150-42-7
• Molecular Formula: C10H12 O4
• Molecular Weight: 196.203
• Hs Code.: 2918999090
• European Community (EC) Number: 218-425-7
• NSC Number: 146462
• UNII: L245EPX4QQ
• DSSTox Substance ID: DTXSID20175840
• Nikkaji Number: J47.332D
• Wikidata: Q63409659
• ChEMBL ID: CHEMBL2252122
• Mol file: 2150-42-7.mol

Synonyms:Methyl 2,3-dimethoxybenzoate;2150-42-7;Methyl o-veratrate;o-Veratric acid, methyl ester;2,3-Dimethoxybenzoic acid methyl ester;Methyl 2,3-dimethoxy benzoate;NSC-146462;Benzoic acid, 2,3-dimethoxy-, methyl ester;METHYL2,3-DIMETHOXYBENZOATE;2,3-dimethoxy-benzoic acid methyl ester;L245EPX4QQ;SCHEMBL311487;CHEMBL2252122;DTXSID20175840;EINECS 218-425-7;Methyl 2,3-dimethoxybenzoate, 97%;MFCD00027555;NSC146462;STK441379;AKOS003313611;NSC 146462;Benzoic acid,3-dimethoxy-, methyl ester;TS-00309;CS-0204651;dimethoxy benzenecarboxylic acid methyl ester;FT-0634071;E78229;A815425;J-014111;Q63409659

Chemical Property of Methyl 2,3-dimethoxybenzoate

Chemical Property:

• Vapor Pressure: 0.00501mmHg at 25°C
• Melting Point: 48-52 °C(lit.)
• Boiling Point: 180-185 °C50 mm Hg(lit.)
• Flash Point: 117.6°C
• PSA: 44.76000
• Density: 1.119g/cm³
• LogP: 1.49040
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 196.07355886
• Heavy Atom Count: 14
• Complexity: 193

Purity/Quality:

98%,99%, ^*data from raw suppliers

Methyl 2,3-dimethoxybenzoate ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22-36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: COC1=CC=CC(=C1OC)C(=O)OC

Technology Process of Methyl 2,3-dimethoxybenzoate

There total 18 articles about Methyl 2,3-dimethoxybenzoate 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%

1,2-dimethoxybenzene (91-16-7) + methyl chloroformate (79-22-1) → methyl 2,3-dimethoxybenzoate (2150-42-7)

Guidance literature:

1,2-dimethoxybenzene; With n-butyllithium; In tetrahydrofuran; at -78 ℃; for 1h;

methyl chloroformate; In tetrahydrofuran; at 20 ℃; for 15h;

DOI:10.1055/s-2004-837222

Reference yield: 95.0%

methanol (67-56-1) + 2,3-dimethoxybenzoic acid (1521-38-6) → methyl 2,3-dimethoxybenzoate (2150-42-7)

Guidance literature:

With chloro-trimethyl-silane; at 0 - 20 ℃;

DOI:10.1016/j.tet.2008.01.129

Reference yield: 55.0%

methanol (67-56-1) + 1,2-dimethoxybenzene (91-16-7) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → methyl 2,3-dimethoxybenzoate (2150-42-7)

Guidance literature:

1,2-dimethoxybenzene; With n-butyllithium; In tetrahydrofuran; hexane; at -78 ℃; for 0.5h;

N,N-dimethyl-formamide; In tetrahydrofuran; hexane; at -78 - 20 ℃; for 2h;

methanol; Further stages;

DOI:10.1016/j.tet.2012.04.016

upstream raw materials:

diazomethane

3-methoxysalicylic acid

methanol

2,3-dimethoxybenzoic acid

Downstream raw materials:

1-isopropenyl-2,3-dimethoxy-benzene

ethyl 3-(2,3-dimethoxyphenyl)-3-oxopropanoate

(2,3-Dimethoxy-phenyl)-diphenyl-methanol

1-((E)-2-Cyclohexyl-1-cyclohexylmethyl-vinyl)-2,3-dimethoxy-benzene

Refernces

• 1、 Bell, Nicholle G. A.,Murray, Lorna,Graham, Margaret C.,Uhrin, Dusan. "NMR methodology for complex mixture 'separation'". supporting information. p. 1694 - 1697. Retrieved 2014/02/14.
• 2、 Gholamipour-Shirazi, Azarmidokht,Rolando, Christian. "Alkylation of substituted benzoic acids in a continuous flow microfluidic microreactor: Kinetics and linear free energy relationships". experimental part. p. 811 - 818. Retrieved 2012/08/07.