1-Chloro-3-[4-(trifluoromethoxy)phenyl]propan-2-one

Base Information

Chemical Name:1-Chloro-3-[4-(trifluoromethoxy)phenyl]propan-2-one
CAS No.:851547-51-8
Molecular Formula:C10H8ClF3O2
Molecular Weight:252.621
Hs Code.:
DSSTox Substance ID:DTXSID50582785
Wikidata:Q82474285

Synonyms:851547-51-8;1-Chloro-3-[4-(trifluoromethoxy)phenyl]propan-2-one;1-Chloro-3-(4-(trifluoromethoxy)phenyl)propan-2-one;SCHEMBL2251955;DTXSID50582785;ZZVYXFRISHJXTM-UHFFFAOYSA-N

Suppliers and Price of 1-Chloro-3-[4-(trifluoromethoxy)phenyl]propan-2-one

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of 1-Chloro-3-[4-(trifluoromethoxy)phenyl]propan-2-one

Chemical Property:

PSA：26.30000
LogP:2.93560
XLogP3:3.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:252.0164917
Heavy Atom Count:16
Complexity:235

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC(=CC=C1CC(=O)CCl)OC(F)(F)F

Technology Process of 1-Chloro-3-[4-(trifluoromethoxy)phenyl]propan-2-one

There total 3 articles about 1-Chloro-3-[4-(trifluoromethoxy)phenyl]propan-2-one 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: 44.1%

: C₁₀H₇F₃N₂O₂

: 851547-51-8
1-chloro-3-(4-trifluoromethoxyphenyl)propan-2-one

Guidance literature:: With chlorine; In diethyl ether; at 0 ℃; for 1.08333h;

Reference yield:

: 186581-53-3,908094-01-9,334-88-3
diazomethane

: 698397-76-1
2-(4-(trifluoromethoxy)phenyl)acetyl chloride

: 851547-51-8
1-chloro-3-(4-trifluoromethoxyphenyl)propan-2-one

Guidance literature:: diazomethane; 2-(4-(trifluoromethoxy)phenyl)acetyl chloride; In tetrahydrofuran; diethyl ether;

With hydrogenchloride; In tetrahydrofuran; diethyl ether;
DOI:10.1021/jm060631p

Reference yield:

: 4315-07-5
4-(trifluoromethoxy)phenylacetic acid

: 851547-51-8
1-chloro-3-(4-trifluoromethoxyphenyl)propan-2-one

Guidance literature:: Multi-step reaction with 2 steps

1.1: oxalyl chloride; DMF / tetrahydrofuran / 1 h

2.1: diethyl ether; tetrahydrofuran

2.2: HCl / diethyl ether; tetrahydrofuran

With oxalyl dichloride; N,N-dimethyl-formamide; In tetrahydrofuran; diethyl ether;
DOI:10.1021/jm060631p