[3-(Trifluoromethyl)phenoxy]acetyl chloride

Base Information

• Chemical Name: [3-(Trifluoromethyl)phenoxy]acetyl chloride
• CAS No.: 85630-83-7
• Molecular Formula: C9H6ClF3O2
• Molecular Weight: 238.594
• DSSTox Substance ID: DTXSID60521241
• Wikidata: Q82385607
• Mol file: 85630-83-7.mol

Synonyms:[3-(trifluoromethyl)phenoxy]acetyl chloride;85630-83-7;2-[3-(trifluoromethyl)phenoxy]acetyl chloride;2-(3-(Trifluoromethyl)phenoxy)acetyl chloride;SCHEMBL9811742;DTXSID60521241;MFCD12197770;AKOS005172543;s12263;3-trifluoromethyl-phenoxy-acetyl chloride;VS-04327;2-(3-(Trifluoromethyl)phenoxy)acetylchloride

Chemical Property of [3-(Trifluoromethyl)phenoxy]acetyl chloride

Chemical Property:

• Melting Point: 97.0-98.0 °C
• Boiling Point: 240.3±40.0 °C(Predicted)
• PSA: 26.30000
• Density: 1.387±0.06 g/cm3(Predicted)
• LogP: 2.84960
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 238.0008416
• Heavy Atom Count: 15
• Complexity: 230

Purity/Quality:

98%min ^*data from raw suppliers

[3-(Trifluoromethyl)phenoxy]acetyl chloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of [3-(Trifluoromethyl)phenoxy]acetyl chloride

There total 3 articles about [3-(Trifluoromethyl)phenoxy]acetyl 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:

3-Trifluoromethylphenol (98-17-9) → <(m-trifluoromethyl)phenoxy>acetyl chloride (85630-83-7)

Guidance literature:

Multi-step reaction with 3 steps

1: potassium carbonate / dimethylsulfoxide / 5 h / 70 - 80 °C

2: NaOH / acetone / 2 h / 20 °C

3: 90 percent / SOCl₂

With sodium hydroxide; thionyl chloride; potassium carbonate; In dimethyl sulfoxide; acetone;

DOI:10.1016/j.jfluchem.2005.11.013

Reference yield:

ethyl (3-trifluoromethylphenoxy)acetate (22897-99-0) → <(m-trifluoromethyl)phenoxy>acetyl chloride (85630-83-7)

Guidance literature:

Multi-step reaction with 2 steps

1: NaOH / acetone / 2 h / 20 °C

2: 90 percent / SOCl₂

With sodium hydroxide; thionyl chloride; In acetone;

DOI:10.1016/j.jfluchem.2005.11.013

Reference yield:

→ <(m-trifluoromethyl)phenoxy>acetyl chloride (85630-83-7)

Guidance literature:

upstream raw materials:

ethyl (3-trifluoromethylphenoxy)acetate

3-Trifluoromethylphenol

Downstream raw materials:

O-methyl [(2-(3-trifluoromethylphenoxy)acetoxy)(2-chlorophenyl)methyl]methylphosphinate

2-(3-trifluoromethylphenoxyacetoxy)(methyl)methyl-5,5-dimethyl-1,3,2-dioxaphosphinan-2-one

2-(3-trifluoromethylphenoxyacetoxy)(phenyl)methyl-5,5-dimethyl-1,3,2-dioxaphosphinan-2-one

2-[(3-trifluoromethylphenoxy)acetoxy](furan-2-yl)methyl-5,5-dimethyl-1,3,2-dioxaphosphinan-2-one

Refernces

• 1、 Deng, Xiaoyan,Liao, Guihong,Long, Qingwu,Gao, Yujiao,Peng, Hao,He, Hongwu. "Synthesis and herbicidal activity of [(Substituted Phenoxyacetoxy) (Substituted Phenyl)Methyl](Methyl) phosphinates containing fluorine". . p. 663 - 671. Retrieved 2013/07/26.
• 2、 Chen, Ting,Shen, Ping,Li, Yanjun,He, Hongwu. "Synthesis and herbicidal activity of O,O-dialkyl phenoxyacetoxyalkylphosphonates containing fluorine". . p. 291 - 295. Retrieved 2007/10/03.