3-Fluoro-4-methoxybenzoyl chloride

Base Information

• Chemical Name: 3-Fluoro-4-methoxybenzoyl chloride
• CAS No.: 3907-15-1
• Molecular Formula: C8H6ClFO2
• Molecular Weight: 188.586
• Hs Code.: 2918999090
• European Community (EC) Number: 638-964-5
• DSSTox Substance ID: DTXSID50381351
• Nikkaji Number: J3.388.031F
• Wikidata: Q72474059
• Mol file: 3907-15-1.mol

Synonyms:3-Fluoro-4-methoxybenzoyl chloride;3907-15-1;3-fluoro-4-methoxybenzoylchloride;3-Fluoro-4-methoxy-benzoyl chloride;MFCD03428589;4-(Chlorocarbonyl)-2-fluoroanisole;SCHEMBL311361;DTXSID50381351;LOSBAHQDKBWMBY-UHFFFAOYSA-N;3-fluoro-4-methoxy benzoyl chloride;AKOS000346356;AC-3845;AM61487;Benzoyl chloride, 3-fluoro-4-methoxy-;AS-15017;FT-0635056;3-Fluoro-4-methoxybenzoyl chloride, AldrichCPR;A21272;F0001-1103

Chemical Property of 3-Fluoro-4-methoxybenzoyl chloride

Chemical Property:

• Vapor Pressure: 0.0082mmHg at 25°C
• Melting Point: 68-71°C
• Refractive Index: 1.511
• Boiling Point: 267.3 °C at 760 mmHg
• Flash Point: 120.7 °C
• PSA: 26.30000
• Density: 1.309 g/cm³
• LogP: 2.21330
• Sensitive.: Moisture Sensitive
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 188.0040353
• Heavy Atom Count: 12
• Complexity: 174

Purity/Quality:

98% ^*data from raw suppliers

3-Fluoro-4-methoxybenzoylChloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C; Xi
• Hazard Codes: C,Xi,Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3-Fluoro-4-methoxybenzoyl chloride

There total 8 articles about 3-Fluoro-4-methoxybenzoyl chloride 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: 100.0%

3-fluoro-p-anisic acid (403-20-3) → 3-fluoro-4-methoxybenzoylchloride (3907-15-1)

Guidance literature:

With thionyl chloride; In dichloromethane; N,N-dimethyl-formamide; at 20 ℃; Inert atmosphere;

DOI:10.1016/j.bmcl.2012.10.135

Reference yield:

3-fluoro-4-methoxyphenyl bromide (2357-52-0) → 3-fluoro-4-methoxybenzoylchloride (3907-15-1)

Guidance literature:

Multi-step reaction with 3 steps

1: N,N-dimethyl-formamide / 120 °C

2: water; sulfuric acid / 4 h / 110 °C

3: thionyl chloride / 2 h / Reflux

With thionyl chloride; sulfuric acid; water; In N,N-dimethyl-formamide;

Reference yield:

3-fluoro-4-hydroxyacetophenone (403-14-5) → 3-fluoro-4-methoxybenzoylchloride (3907-15-1)

Guidance literature:

Multi-step reaction with 3 steps

1: potassium carbonate / acetone / 2 h / 25 °C / Inert atmosphere

2: sodium hypochlorite / tert-butyl methyl ether; water; isopropyl alcohol / 2 h / 80 - 82 °C / Inert atmosphere

3: thionyl chloride / 3 h / 78 - 80 °C / Inert atmosphere

With sodium hypochlorite; thionyl chloride; potassium carbonate; In tert-butyl methyl ether; water; isopropyl alcohol; acetone;

DOI:10.1016/j.tetlet.2014.02.119

upstream raw materials:

3-fluoro-p-anisic acid

3-fluoro-4-methoxybenzonitrile

3-fluoro-4-methoxyphenyl bromide

2-fluorophenol

Downstream raw materials:

2-bromo-6-[(3-fluoro-4-methoxybenzoyl)amino]-4-methoxyphenyl-3-fluoro-4-methoxybenzoate

3-fluoro-4-methoxy-N-(2-morpholin-4-yl-ethyl)-benzamide

3-fluoro-4-methoxy-benzoic acid 2-morpholin-4-yl-ethyl ester

1-(3-fluoro-4-methoxyphenyl)methanamine

Refernces

• 1、 Dolensky, Johanna,Hermann, Theresa,Hochegger, Patrick,Kaiser, Marcel,M?ser, Pascal,Saf, Robert,Seebacher, Werner,Weis, Robert. "New acyl derivatives of 3-aminofurazanes and their antiplasmodial activities". . . Retrieved 2021/05/24.
• 2、 Ortiz, Gloria,Liu, Pei,Naing, Su Htet Htet,Muller, Vikram R.,Miller, Evan W.. "Synthesis of Sulfonated Carbofluoresceins for Voltage Imaging". supporting information. p. 6631 - 6638. Retrieved 2019/05/06.