2-Fluoro-6-methoxybenzoic acid

Base Information

• Chemical Name: 2-Fluoro-6-methoxybenzoic acid
• CAS No.: 137654-21-8
• Molecular Formula: C8H7FO3
• Molecular Weight: 170.14
• Hs Code.: 29189900
• European Community (EC) Number: 630-180-1
• DSSTox Substance ID: DTXSID20372014
• Nikkaji Number: J1.410.838F
• Wikidata: Q72473987
• Mol file: 137654-21-8.mol

Synonyms:2-Fluoro-6-methoxybenzoic acid;137654-21-8;Benzoic acid, 2-fluoro-6-methoxy-;2-fluoro-6-methoxy-benzoic Acid;MFCD00671764;2-Fluoro-6-methoxybenzoicacid;6-Fluoro-2-anisoic acid;methyl-6-fluorosalicylic acid;SCHEMBL184045;2-Methoxy-6-fluorobenzoic acid;DTXSID20372014;XLNQGZLCGVLNMF-UHFFFAOYSA-N;AKOS006221649;2-Fluoro-6-methoxybenzoic acid, 97%;AC-3971;CS-W017704;FS-1589;SY007792;AM20060122;F1146;FT-0643271;EN300-83929;J-509490;Z1203161974

Chemical Property of 2-Fluoro-6-methoxybenzoic acid

Chemical Property:

• Vapor Pressure: 0.00664mmHg at 25°C
• Melting Point: 89-93 °C(lit.)
• Refractive Index: 1.524
• Boiling Point: 259.4 °C at 760 mmHg
• PKA: 3.16±0.10(Predicted)
• Flash Point: 110.7 °C
• PSA: 46.53000
• Density: 1.307 g/cm³
• LogP: 1.53250
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: soluble in Methanol
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 170.03792224
• Heavy Atom Count: 12
• Complexity: 172

Purity/Quality:

98% ^*data from raw suppliers

2-Fluoro-6-methoxybenzoic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 22-26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C(=CC=C1)F)C(=O)O
• Uses: 2-Fluoro-6-methoxybenzoic acid may be used as a starting material in the three-step synthesis of dihydro-0-methylsterigmatocystin, a natural mycotoxin.

Technology Process of 2-Fluoro-6-methoxybenzoic acid

There total 2 articles about 2-Fluoro-6-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: 98.0%

2-fluoro-6-methoxybenzonitrile (94088-46-7) → 2-fluoro-6-methoxybenzoic acid (137654-21-8)

Guidance literature:

With potassium hydroxide; In water; for 3h; Heating;

DOI:10.1021/jo00302a011

Reference yield: 98.0%

2-fluoro-6-methoxybenzaldehyde (146137-74-8) → 2-fluoro-6-methoxybenzoic acid (137654-21-8)

Guidance literature:

With potassium permanganate; In water; acetone; for 3h; Heating;

DOI:10.1021/jo991958j

Reference yield: 97.0%

methanol (67-56-1) + 2-fluoro-6-methoxybenzoic acid (137654-21-8) → methyl 2-fluoro-6-methoxybenzoate (178747-79-0)

Guidance literature:

With sulfuric acid; for 24h; Heating;

DOI:10.1021/jo991958j

upstream raw materials:

2-fluoro-6-methoxybenzonitrile

2-fluoro-6-methoxybenzaldehyde

Downstream raw materials:

2-fluoro-6-methoxybenzoyl chloride

methyl 2-fluoro-6-methoxybenzoate

dihydro-O-methylsterigmatocystin

(2-Fluoro-6-methoxy-phenyl)-(2-hydroxy-6-methoxy-phenyl)-methanone

Refernces

• 1、 Smith III, Amos B.,Wan, Zehong. "Total synthesis of (+)-thiazinotrienomycin E". . p. 1491 - 1494. Retrieved 2008/02/09.