2,3-Difluoro-4-methoxybenzoic acid

Base Information

• Chemical Name: 2,3-Difluoro-4-methoxybenzoic acid
• CAS No.: 329014-60-0
• Molecular Formula: C8H6F2O3
• Molecular Weight: 188.131
• Hs Code.: 2918990090
• DSSTox Substance ID: DTXSID80394176
• Wikidata: Q72463193
• Mol file: 329014-60-0.mol

Synonyms:2,3-Difluoro-4-methoxybenzoic acid;329014-60-0;Benzoic acid, 2,3-difluoro-4-methoxy-;MFCD03428569;2,3-difluoro-4-methoxy-benzoic Acid;SCHEMBL1961466;DTXSID80394176;OBSJPUVORWCLNA-UHFFFAOYSA-N;BBL100645;STL554439;AKOS005254746;AC-3953;JS-4318;CS-0193420;FT-0653121;A19996;A20298;2,3-difluoro-4-methoxybenzoic acid, AldrichCPR;EN300-7400600;Z1201622339

Chemical Property of 2,3-Difluoro-4-methoxybenzoic acid

Chemical Property:

• Vapor Pressure: 0.00397mmHg at 25°C
• Melting Point: 222-224 °C
• Refractive Index: 1.504
• Boiling Point: 267.8 °C at 760 mmHg
• Flash Point: 115.7 °C
• PSA: 46.53000
• Density: 1.399 g/cm³
• LogP: 1.67160
• Storage Temp.: 2-8°C
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 188.02850037
• Heavy Atom Count: 13
• Complexity: 198

Purity/Quality:

97% ^*data from raw suppliers

2,3-Difluoro-4-methoxybenzoicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C(=C(C=C1)C(=O)O)F)F

Technology Process of 2,3-Difluoro-4-methoxybenzoic acid

There total 1 articles about 2,3-Difluoro-4-methoxybenzoic 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: 96.0%

methyl 2,3-difluoro-4-methoxybenzoate (544704-78-1) → 2,3-difluoro-4-methoxybenzoic acid (329014-60-0)

Guidance literature:

With sodium hydroxide; In tetrahydrofuran; methanol;

Reference yield: 79.0%

2,3-difluoro-4-methoxybenzoic acid (329014-60-0) + 4-(3-fluorobenzyl)-3-thiosemicarbazide (1039327-24-6) → C16H14F3N3O2S (1210478-64-0)

Guidance literature:

With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In N,N-dimethyl-formamide; at 20 ℃;

Reference yield:

2,3-difluoro-4-methoxybenzoic acid (329014-60-0) + 4-(4-propylcyclohexyl)-1-trimethylsilyloxycyclohexene → 4-(4-propylcyclohexyl)cyclohexene-1-yl 4-methoxy-2,3-difluorobenzoate

Guidance literature:

With thionyl chloride; sodium hydrogencarbonate; mercury dichloride; In water; toluene;

upstream raw materials:

methyl 2,3-difluoro-4-methoxybenzoate

Downstream raw materials:

2,3-difluoro-4-[5-(3-fluorobenzylamino)-1,3,4-oxadiazol-2-yl]phenol

5-(2,3-difluoro-4-methoxyphenyl)-N-(3-fluorobenzyl)-1,3,4-oxadiazol-2-amine

C₁₆H₁₄F₃N₃O₂S

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