Benzene, 1-(3-chloro-1-phenylpropoxy)-3-(trifluoromethyl)-

Base Information

Chemical Name:Benzene, 1-(3-chloro-1-phenylpropoxy)-3-(trifluoromethyl)-
CAS No.:200004-12-2
Molecular Formula:C16H14ClF3O
Molecular Weight:314.735
Hs Code.:
DSSTox Substance ID:DTXSID30467405

Synonyms:Benzene, 1-(3-chloro-1-phenylpropoxy)-3-(trifluoromethyl)-;200004-12-2;SCHEMBL6005590;DTXSID30467405;IIVZQONMKSXJMD-UHFFFAOYSA-N

Suppliers and Price of Benzene, 1-(3-chloro-1-phenylpropoxy)-3-(trifluoromethyl)-

Supply Marketing:

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

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Chemical Property of Benzene, 1-(3-chloro-1-phenylpropoxy)-3-(trifluoromethyl)-

Chemical Property:

XLogP3:5.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:314.0685272
Heavy Atom Count:21
Complexity:302

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C=C1)C(CCCl)OC2=CC=CC(=C2)C(F)(F)F

Technology Process of Benzene, 1-(3-chloro-1-phenylpropoxy)-3-(trifluoromethyl)-

There total 2 articles about Benzene, 1-(3-chloro-1-phenylpropoxy)-3-(trifluoromethyl)- 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: 56.0%

: 98-17-9
3-Trifluoromethylphenol

: 18776-12-0,125712-82-5
3-chloro-1-phenyl-propan-1-ol

: 200004-12-2
1-(3-chloro-1-phenylpropoxy)-3-trifluoromethylbenzene

Guidance literature:: With triphenylphosphine; diethylazodicarboxylate; In tetrahydrofuran; at 20 ℃;
DOI:10.1021/jm0309349

Reference yield:

: 936-59-4
3-chloropropiophenone

: 200004-12-2
1-(3-chloro-1-phenylpropoxy)-3-trifluoromethylbenzene

Guidance literature:: Multi-step reaction with 2 steps

1: NaBH₄ / methanol

2: 56 percent / Ph₃P; DEAD / tetrahydrofuran / 20 °C

With sodium tetrahydroborate; triphenylphosphine; diethylazodicarboxylate; In tetrahydrofuran; methanol; 2: Mitsunobu reaction;
DOI:10.1021/jm0309349