3-Butyn-2-ol, 1-chloro-4-phenyl-, (2S)-

Base Information

Chemical Name:3-Butyn-2-ol, 1-chloro-4-phenyl-, (2S)-
CAS No.:433257-35-3
Molecular Formula:C10H9ClO
Molecular Weight:180.634
Hs Code.:
DSSTox Substance ID:DTXSID80477630
Nikkaji Number:J1.708.607C
Wikidata:Q82310435
Mol file:433257-35-3.mol

Synonyms:3-Butyn-2-ol, 1-chloro-4-phenyl-, (2S)-;433257-35-3;DTXSID80477630

Suppliers and Price of 3-Butyn-2-ol, 1-chloro-4-phenyl-, (2S)-

Supply Marketing:

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

Manufacturers and distributors:

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Chemical Property of 3-Butyn-2-ol, 1-chloro-4-phenyl-, (2S)-

Chemical Property:

XLogP3:2.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:180.0341926
Heavy Atom Count:12
Complexity:183

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C=C1)C#CC(CCl)O
Isomeric SMILES:C1=CC=C(C=C1)C#C[C@@H](CCl)O

Technology Process of 3-Butyn-2-ol, 1-chloro-4-phenyl-, (2S)-

There total 2 articles about 3-Butyn-2-ol, 1-chloro-4-phenyl-, (2S)- 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: 98.0%

: 176648-09-2
1-chloro-4-phenyl-3-butyn-2-one

: 433257-35-3
(S)-1-Chloro-4-phenyl-but-3-yn-2-ol

Guidance literature:: With alcohol dehydrogenase from recombinant Lactobacillus brevis; triethanolamine - HCl buffer; NADPH; magnesium chloride; In isopropyl alcohol; at 20 ℃; for 48h;
DOI:10.1002/1521-3773(20020215)41:4<634::AID-ANIE634>3.0.CO;2-U

Reference yield:

: 176648-09-2
1-chloro-4-phenyl-3-butyn-2-one

: 433257-35-3
(S)-1-Chloro-4-phenyl-but-3-yn-2-ol

: 433257-34-2
(R)-1-Chloro-4-phenyl-but-3-yn-2-ol

Guidance literature:: With formic acid; triethylamine; chloro[(1R,2R)-N-(p-toluenesulfonyl)-1,2-diphenylethylenediamine] (pentamethylcyclopentadienyl) rhodium; In ethyl acetate; at 25 ℃; for 2h; Title compound not separated from byproducts.;
DOI:10.1016/j.tet.2004.06.076