4-Methyl-1-phenylpent-2-yne-1,4-diol

Base Information

Chemical Name:4-Methyl-1-phenylpent-2-yne-1,4-diol
CAS No.:5111-41-1
Molecular Formula:C₁₂H₁₄O₂
Molecular Weight:190.242
Hs Code.:
DSSTox Substance ID:DTXSID20501261
Nikkaji Number:J699.758I
Mol file:5111-41-1.mol

Synonyms:4-Methyl-1-phenylpent-2-yne-1,4-diol;5111-41-1;DTXSID20501261

Suppliers and Price of 4-Methyl-1-phenylpent-2-yne-1,4-diol

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 1 raw suppliers

Chemical Property of 4-Methyl-1-phenylpent-2-yne-1,4-diol

Chemical Property:

XLogP3:1.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:190.099379685
Heavy Atom Count:14
Complexity:238

Purity/Quality:: 95% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of 4-Methyl-1-phenylpent-2-yne-1,4-diol

There total 7 articles about 4-Methyl-1-phenylpent-2-yne-1,4-diol 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%

: lithium 4-lithio-2-methyl-3-butyn-2-olate

: 100-52-7
benzaldehyde

: 131354-47-7,5111-41-1
4-methyl-1-phenyl-pent-2-yne-1,4-diol

Guidance literature:: In tetrahydrofuran; at -65 ℃; for 6h;
DOI:10.1021/ja00406a066

Reference yield: 74.0%

: 156-60-5,43695-79-0
trans-1,2-dichloroethylene

: 100-52-7
benzaldehyde

: 67-64-1
acetone

: 131354-47-7,5111-41-1
4-methyl-1-phenyl-pent-2-yne-1,4-diol

Guidance literature:: trans-1,2-dichloroethylene; With n-butyllithium; In tetrahydrofuran; hexane; at 0 ℃;

benzaldehyde; In tetrahydrofuran; hexane; at 0 ℃;

acetone; Further stages;
DOI:10.1002/anie.201108932

Reference yield: 72.0%

: 100-52-7
benzaldehyde

: 115-19-5
2-methyl-but-3-yn-2-ol

: 131354-47-7,5111-41-1
4-methyl-1-phenyl-pent-2-yne-1,4-diol

Guidance literature:: With 2,2'-dihydroxybiphenyl; dicyclohexylmethylamine; indium(III) bromide; In dichloromethane; at 40 ℃; for 24h; Further Variations:; Reagents; time, concentration of reagent; Product distribution;
DOI:10.1039/b614958h