Methyl 4-phenylbut-2-ynoate

Base Information

Chemical Name:Methyl 4-phenylbut-2-ynoate
CAS No.:73845-38-2
Molecular Formula:C11H10O2
Molecular Weight:174.199
Hs Code.:
DSSTox Substance ID:DTXSID30566164
Nikkaji Number:J570.583E
Wikidata:Q82451644

Synonyms:methyl 4-phenylbut-2-ynoate;73845-38-2;SCHEMBL7301572;DTXSID30566164;AKOS013859880

Suppliers and Price of Methyl 4-phenylbut-2-ynoate

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
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price

Total 1 raw suppliers

Chemical Property of Methyl 4-phenylbut-2-ynoate

Chemical Property:

XLogP3:2.7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:174.068079557
Heavy Atom Count:13
Complexity:225

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:COC(=O)C#CCC1=CC=CC=C1

Technology Process of Methyl 4-phenylbut-2-ynoate

There total 6 articles about Methyl 4-phenylbut-2-ynoate 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: 85.0%

: 67-56-1
methanol

: 75523-28-3
5-benzyl-1,2-dihydropyrazol-3-one

: 73845-38-2
methyl 4-phenylbut-2-ynoate

Guidance literature:: With thallium(III) nitrate; 1.) room temperature, 20 min, 2.) reflux, 20 min;

Reference yield: 25.0%

: 10147-11-2
propargyl benzene

: 79-22-1
methyl chloroformate

: 73845-38-2
methyl 4-phenylbut-2-ynoate

Guidance literature:: propargyl benzene; With n-butyllithium; In tetrahydrofuran; at -78 - 0 ℃; Schlenk technique;

methyl chloroformate; In tetrahydrofuran; at -78 - 20 ℃; for 3.5h; Schlenk technique;
DOI:10.1055/s-0036-1588813

Reference yield:

: 37779-49-0
methyl 3-oxo-4-phenylbutanoate

: 73845-38-2
methyl 4-phenylbut-2-ynoate

Guidance literature:: Multi-step reaction with 2 steps

1: 78 percent / hydrazine hydrate / ethanol / 3 h / Ambient temperature

2: 85 percent / thallium(III) nitrate / 1.) room temperature, 20 min, 2.) reflux, 20 min

With hydrazine hydrate; thallium(III) nitrate; In ethanol;