6-Chloro-2-fluoro-3-methoxybenzoic acid

Base Information

• Chemical Name: 6-Chloro-2-fluoro-3-methoxybenzoic acid
• CAS No.: 886499-58-7
• Molecular Formula: C8H6 Cl F O3
• Molecular Weight: 204.585
• Hs Code.: 2918990090
• DSSTox Substance ID: DTXSID40397401
• Wikidata: Q82198703
• Mol file: 886499-58-7.mol

Synonyms:6-Chloro-2-fluoro-3-methoxybenzoic acid;886499-58-7;6-CHLORO-2-FLUORO-3-METHOXYBENZOICACID;SCHEMBL203402;DTXSID40397401;LCBOXBUSYYCBLU-UHFFFAOYSA-N;MFCD04115947;AKOS015956767;AS-43087;CS-0196040;6-Chloro-2-fluoro-3-(methyloxy)benzoic acid;EN300-317483;6-chloro-2-fluoro-3-methoxybenzenecarboxylic acid;A842812;6-Chloro-2-fluoro-3-methoxybenzoic acid, AldrichCPR

Chemical Property of 6-Chloro-2-fluoro-3-methoxybenzoic acid

Chemical Property:

• PSA: 46.53000
• LogP: 2.18590
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 203.9989499
• Heavy Atom Count: 13
• Complexity: 200

Purity/Quality:

99% ^*data from raw suppliers

6-Chloro-2-fluoro-3-methoxybenzoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 6-Chloro-2-fluoro-3-methoxybenzoic acid

There total 1 articles about 6-Chloro-2-fluoro-3-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: 88.0%

carbon dioxide (124-38-9,18923-20-1) + 4-chloro-2-fluoro-1-methoxybenzene (452-09-5) → 6-chloro-2-fluoro-3-methoxy-benzoic acid (886499-58-7)

Guidance literature:

4-chloro-2-fluoro-1-methoxybenzene; With n-butyllithium; In tetrahydrofuran; at -78 ℃; for 0.5h;

carbon dioxide; In tetrahydrofuran; at -78 - 20 ℃;

With hydrogenchloride; water; pH=~ 1;

Reference yield: 96.3%

6-chloro-2-fluoro-3-methoxy-benzoic acid (886499-58-7) → 6-chloro-2-fluoro-3-hydroxy-benzoic acid (91659-28-8)

Guidance literature:

With boron tribromide; In dichloromethane; at 0 - 20 ℃; Product distribution / selectivity;

Reference yield:

6-chloro-2-fluoro-3-methoxy-benzoic acid (886499-58-7) → 6-chloro-2-fluoro-3-methoxybenzoyl chloride (886499-63-4)

Guidance literature:

With oxalyl dichloride; N,N-dimethyl-formamide; In dichloromethane; at 20 ℃; for 3h;

upstream raw materials:

carbon dioxide

4-chloro-2-fluoro-1-methoxybenzene

Downstream raw materials:

6-chloro-2-fluoro-3-hydroxy-benzoic acid

6-chloro-2-fluoro-3-methoxybenzoyl chloride

3-(benzyloxy)-6-chloro-2-fluorobenzoic acid

6-chloro-2-fluoro-3-hydroxy-N-(3-methoxy-1H-pyrazolo[3,4-b]pyridin-5-yl)benzamide

Refernces

• 1、 -. "BENZAMIDE DERIVATIVES AS EP4 RECEPTOR AGONISTS". Page/Page column 54. . Retrieved 2008/12/06.