3-Fluorophenylacetyl chloride

Base Information

• Chemical Name: 3-Fluorophenylacetyl chloride
• CAS No.: 458-04-8
• Molecular Formula: C8H6 Cl F O
• Molecular Weight: 172.586
• Hs Code.: 2916399090
• European Community (EC) Number: 676-331-5
• DSSTox Substance ID: DTXSID70508907
• Wikidata: Q82366127
• Mol file: 458-04-8.mol

Synonyms:3-Fluorophenylacetyl chloride;458-04-8;2-(3-fluorophenyl)acetyl chloride;3-Fluorophenylacetylchloride;(3-fluorophenyl)acetyl chloride;Benzeneacetyl chloride, 3-fluoro-;3-Fluorobenzeneacetyl chloride;SCHEMBL1149255;(3-fluorophenyl) acetyl chloride;(3-fluorophenyl)-acetyl chloride;DTXSID70508907;SKOMBKMLOHIBTF-UHFFFAOYSA-N;MFCD07787556;AKOS000732795;3-fluorophenylacetyl chloride, AldrichCPR;PS-10934;FT-0690387;C13922;EN300-136463

Chemical Property of 3-Fluorophenylacetyl chloride

Chemical Property:

• Vapor Pressure: 0.135mmHg at 25°C
• Refractive Index: 1.514
• Boiling Point: 217.2°C at 760 mmHg
• Flash Point: 85.1°C
• PSA: 17.07000
• Density: 1.278g/cm³
• LogP: 2.13360
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 172.0091207
• Heavy Atom Count: 11
• Complexity: 149

Purity/Quality:

98%min ^*data from raw suppliers

3-FluorophenylacetylChloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)F)CC(=O)Cl

Technology Process of 3-Fluorophenylacetyl chloride

There total 7 articles about 3-Fluorophenylacetyl 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: 99.0%

→ 3-fluorophenylacetyl chloride (458-04-8)

Guidance literature:

Reference yield:

3-fluorobenzoic acid (455-38-9) → 3-fluorophenylacetyl chloride (458-04-8)

Guidance literature:

Multi-step reaction with 4 steps

1: (COCl)2; DMF / CH₂Cl₂

2: diethyl ether / 0 °C

3: aq. Ag₂O / dioxane

4: (COCl)2; DMF / CH₂Cl₂

With oxalyl dichloride; N,N-dimethyl-formamide; silver(l) oxide; In 1,4-dioxane; diethyl ether; dichloromethane; 1: Chlorination / 2: Substitution / 3: Rearrangement / 4: Chlorination;

DOI:10.1016/S0960-894X(00)00318-8

Reference yield:

m-Fluoro-ω-diazoacetophenon (6929-49-3) → 3-fluorophenylacetyl chloride (458-04-8)

Guidance literature:

Multi-step reaction with 2 steps

1: aq. Ag₂O / dioxane

2: (COCl)2; DMF / CH₂Cl₂

With oxalyl dichloride; N,N-dimethyl-formamide; silver(l) oxide; In 1,4-dioxane; dichloromethane; 1: Rearrangement / 2: Chlorination;

DOI:10.1016/S0960-894X(00)00318-8

upstream raw materials:

3-fluorobenzoic acid

m-Fluoro-ω-diazoacetophenon

3-fluorobenzoyl chloride

3-fluorophenylacetonitrile

Downstream raw materials:

(3-fluoro-phenyl)-acetic acid-(2-piperidino-ethyl ester)

2-(3-Fluoro-phenyl)-1-(4-methoxy-phenyl)-ethanone

7-fluoro-1,2,3,4-tetrahydronaphthalen-2-one

5-fluoro-2-tetralone

Refernces

• 1、 -. "SUBSTITUTED PYRIDINE DERIVATIVES AND THEIR MEDICAL USE". Page/Page column 29. . Retrieved 2010/09/17.
• 2、 -. "SUBSTITUTED MORPHOLINE AND THIOMORPHOLINE DERIVATIVES". Page/Page column 50. . Retrieved 2008/06/13.