3-(Trifluoromethyl)phenylacetyl chloride

Base Information

• Chemical Name: 3-(Trifluoromethyl)phenylacetyl chloride
• CAS No.: 2003-14-7
• Molecular Formula: C9H6ClF3O
• Molecular Weight: 222.594
• Hs Code.: 2916399090
• DSSTox Substance ID: DTXSID30508908
• Wikidata: Q82366129
• Mol file: 2003-14-7.mol

Synonyms:3-(Trifluoromethyl)phenylacetyl chloride;2003-14-7;2-[3-(trifluoromethyl)phenyl]acetyl chloride;Benzeneacetyl chloride, 3-(trifluoromethyl)-;2-(3-(TRIFLUOROMETHYL)PHENYL)ACETYL CHLORIDE;[3-(trifluoromethyl)phenyl]acetyl chloride;SCHEMBL827045;DTXSID30508908;CAA00314;m-trifluoromethylphenylacetyl chloride;MFCD08458137;3-trifluoromethylphenylacetyl chloride;3-trifluoromethylphenyl acetyl chloride;AKOS023128390;m-trifluoromethyl-phenylacetyl chloride;3-(Trifluoromethyl)phenylacetylchloride;(3-trifluoromethylphenyl)acetyl chloride;3-(Trifluoromethyl)benzeneacetyl chloride;(3-trifluoromethylphenyl)-acetyl chloride;PS-10923;2-(3-trifluoromethylphenyl)-acetyl chloride;3-(trifluoromethyl)phenylacetyl chloride, AldrichCPR

Chemical Property of 3-(Trifluoromethyl)phenylacetyl chloride

Chemical Property:

• Boiling Point: 220.7±40.0 °C(Predicted)
• PSA: 17.07000
• Density: 1.355±0.06 g/cm3(Predicted)
• LogP: 3.01330
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 222.0059270
• Heavy Atom Count: 14
• Complexity: 215

Purity/Quality:

98%min ^*data from raw suppliers

3-(Trifluoromethyl)phenylacetylChloride ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3-(Trifluoromethyl)phenylacetyl chloride

There total 3 articles about 3-(Trifluoromethyl)phenylacetyl 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-(trifluoromethyl)phenylacetic acid (351-35-9) → (3-trifluoromethyl-phenyl)-acetyl chloride (2003-14-7)

Guidance literature:

With thionyl chloride; N,N-dimethyl-formamide; In dichloromethane; at 23 ℃;

DOI:10.1016/j.bmcl.2007.02.049

Reference yield:

oxalyl dichloride (79-37-8) + 3-(trifluoromethyl)phenylacetic acid (351-35-9) → (3-trifluoromethyl-phenyl)-acetyl chloride (2003-14-7)

Guidance literature:

In dichloromethane; N,N-dimethyl-formamide;

Reference yield:

→ (3-trifluoromethyl-phenyl)-acetyl chloride (2003-14-7)

Guidance literature:

3-Trifluormethylphenylessigsaeure, SOCl2;

DOI:10.1021/jo00986a009

upstream raw materials:

3-(trifluoromethyl)phenylacetic acid

oxalyl dichloride

Downstream raw materials:

4-hydroxy-1-phenyl-3-(3-trifluoromethylphenylacetyl)-1,8-naphthyridin-2(1H)-one

4-Hydroxy-1-(3-trifluoromethoxyphenyl)-3-(3-trifluoromethylphenylacetyl)-1,8-naphthyridine-2(1H)-one

4-hydroxy-1-(3-trifluoromethylphenyl)-3-(3-trifluoromethylphenylacetyl)-1,8-naphthyridin-2(1H)-one

3-[2-(α,α,α-Trifluoro-m-tolyl)acetyl]-2,3,4,5-tetrahydro-7,8-methylenedioxy-1H-3-benzazepine

Refernces

• 1、 Barysevich, Maryia V.,Laktsevich-Iskryk, Marharyta V.,Krech, Anastasiya V.,Zhabinskii, Vladimir N.,Khripach, Vladimir A.,Hurski, Alaksiej L.. "Palladium-Catalyzed 2-(Neopentylsulfinyl)aniline Directed C–H Acetoxylation and Alkenylation of Arylacetamides". supporting information. p. 937 - 943. Retrieved 2020/02/25.
• 2、 Dziuk, B?a?ej,Kafarski, Pawe?,Pirat, Jean-Luc,Talma, Micha?,Wanat, Weronika. "Phosphonic acid analogs of fluorophenylalanines as inhibitors of human and porcine aminopeptidases N: Validation of the importance of the substitution of the aromatic ring". . . Retrieved 2020/05/04.