1,1,1-Trichloro-4-phenylbut-3-YN-2-OL

Base Information

Chemical Name:1,1,1-Trichloro-4-phenylbut-3-YN-2-OL
CAS No.:6181-26-6
Molecular Formula:C10H7Cl3O
Molecular Weight:249.524
Hs Code.:2906299090
DSSTox Substance ID:DTXSID30508862
Nikkaji Number:J1.037.688B
Mol file:6181-26-6.mol

Synonyms:6181-26-6;1,1,1-TRICHLORO-4-PHENYLBUT-3-YN-2-OL;1,1,1-TRICHLORO-4-PHENYL-BUT-3-YN-2-OL;DTXSID30508862;AKOS015964295

Suppliers and Price of 1,1,1-Trichloro-4-phenylbut-3-YN-2-OL

Supply Marketing:

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

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 4 raw suppliers

Chemical Property of 1,1,1-Trichloro-4-phenylbut-3-YN-2-OL

Chemical Property:

PSA：20.23000
LogP:2.76920
XLogP3:3.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:247.956248
Heavy Atom Count:14
Complexity:239

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C=C1)C#CC(C(Cl)(Cl)Cl)O

Technology Process of 1,1,1-Trichloro-4-phenylbut-3-YN-2-OL

There total 11 articles about 1,1,1-Trichloro-4-phenylbut-3-YN-2-OL 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: 93.0%

: 75-87-6
chloral

: 536-74-3
phenylacetylene

: 6181-26-6
1-trichloromethyl-3-phenyl-2-propyn-1-ol

Guidance literature:: phenylacetylene; With triethylamine; zinc(II) chloride; In toluene; at 25 ℃; for 2h;

chloral; at 20 ℃;
DOI:10.1021/jo048101t

Reference yield: 34.0%

: 67-66-3,8013-54-5
chloroform

: 1504-58-1
3-Phenyl-2-propyn-1-ol

: 6181-26-6
1-trichloromethyl-3-phenyl-2-propyn-1-ol

Guidance literature:: chloroform; 3-Phenyl-2-propyn-1-ol; With Dess-Martin periodane; at 0 - 20 ℃; Inert atmosphere;

With 1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a]pyrimidine; at 0 - 20 ℃; for 10h; Inert atmosphere;
DOI:10.1021/jo300725v

Reference yield:

: 1719-19-3
2-Methyl-4-phenyl-3-butyn-2-ol

: 75-87-6
chloral

: 6181-26-6
1-trichloromethyl-3-phenyl-2-propyn-1-ol

: 67-64-1
acetone

Guidance literature:: With (o,o'-biphenylenedioxy)methylaluminium; Yield given. Multistep reaction; 1.) CH₂Cl₂, RT, 30 min, 2.) CH₂Cl₂, RT, 5 h;
DOI:10.1021/ja9821347