2,3-Dimethoxybenzoic acid

Base Information

• Chemical Name: 2,3-Dimethoxybenzoic acid
• CAS No.: 1521-38-6
• Molecular Formula: C9H10O4
• Molecular Weight: 182.176
• Hs Code.: 29189090
• European Community (EC) Number: 216-188-4
• NSC Number: 406133
• UNII: CQT4BG868C
• DSSTox Substance ID: DTXSID20164956
• Nikkaji Number: J148.046D
• Wikidata: Q27456584
• ChEMBL ID: CHEMBL450128
• Mol file: 1521-38-6.mol

Synonyms:2,3-DIMETHOXYBENZOIC ACID;1521-38-6;o-Veratric acid;Benzoic acid, 2,3-dimethoxy-;Benzoic acid, dimethoxy-;MFCD00002432;EINECS 216-188-4;NSC 406133;2,3-dimethoxy-benzoic acid;BRN 2210858;CQT4BG868C;AI3-01432;NSC-406133;4-10-00-01415 (Beilstein Handbook Reference);2,3-Dimethoxybenzoicacid;2,3-dimethoxy benzoic acid;dimethoxybenzoic acid;UNII-CQT4BG868C;2,3-dimethoxyl-benzoic acid;SCHEMBL152563;CHEMBL450128;DTXSID20164956;o-Veratric acid (6CI,7CI,8CI);NSC406133;RB3188;STL164371;AKOS000119517;AC-3957;BS-3992;CS-W017122;LS-37120;SY004031;AM20050168;D0630;FT-0609678;EN300-20038;A19999;2,3-Dimethoxybenzoic acid, ReagentPlus(R), 99%;Q-101223;Q27456584;F2191-0138;Z104476536;2,3-Dimethoxybenzoic acid, Vetec(TM) reagent grade, 98%;6X6

Chemical Property of 2,3-Dimethoxybenzoic acid

Chemical Property:

• Appearance/Colour: light beige fine crystalline powder
• Vapor Pressure: 0.000385mmHg at 25°C
• Melting Point: 120-122 °C(lit.)
• Refractive Index: 1.4500 (estimate)
• Boiling Point: 304.4 °C at 760 mmHg
• PKA: 3.97±0.10(Predicted)
• Flash Point: 121.6 °C
• PSA: 55.76000
• Density: 1.214 g/cm³
• LogP: 1.40200
• Storage Temp.: Store below +30°C.
• Solubility.: 5.310g/l slightly soluble
• Water Solubility.: slightly soluble
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 182.05790880
• Heavy Atom Count: 13
• Complexity: 181

Purity/Quality:

99% ^*data from raw suppliers

2,3-Dimethoxybenzoic Acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

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

Technology Process of 2,3-Dimethoxybenzoic acid

There total 25 articles about 2,3-Dimethoxybenzoic 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: 99.0%

benzyl 2,3-dimethoxybenzoate → 2,3-dimethoxybenzoic acid (1521-38-6)

Guidance literature:

With palladium 10% on activated carbon; silica gel; cyclohexene; In methanol; at 120 ℃; for 0.333333h; Flow reactor;

DOI:10.1021/acs.oprd.6b00441

Reference yield: 80.0%

1,2-dimethoxybenzene (91-16-7) + carbon dioxide (124-38-9,18923-20-1) → 2,3-dimethoxybenzoic acid (1521-38-6)

Guidance literature:

1,2-dimethoxybenzene; With n-chlorooctane; sodium; In toluene; at 20 ℃;

carbon dioxide; In toluene; at 20 ℃;

DOI:10.1002/1521-3773(20020118)41:2<340::AID-ANIE340>3.0.CO;2-D

Reference yield: 57.0%

Lithium o-Lithiobenzoate (57901-57-2) + 2,3-dimethoxybenzoyl chloride (7169-06-4) → 2,3-dimethoxybenzoic acid (1521-38-6) + 2-(2',3'-dimethoxybenzoyl)benzoic acid (76250-92-5) + benzoic acid (65-85-0,8013-63-6)

Guidance literature:

In tetrahydrofuran; 1) 1h, -100 deg C, 2) allowed up to 25 deg C over 2 h;

DOI:10.1021/jo00319a003

upstream raw materials:

1,2-dimethoxybenzene

1,2-dimethoxy-3-methylbenzene

ethyl 2-hydroxy-3-methoxybenzoate

methyl p-toluene sulfonate

Downstream raw materials:

4,5-dihydro-2-(2',3'-dimethoxyphenyl)-4,4-dimethyloxazole

2-Hydroxy-2',3,3',4,5,6-hexamethoxy-benzophenon

2,3-Dimethoxy-benzoic acid 2,6-di-tert-butyl-4-methoxy-phenyl ester

2,3-dimethoxy-N-(9-benzyl-9-azabicyclo<3.3.1>nonan-3β-yl)benzamide