Methyl 3-(4-phenyl-1-butyn-1-yl)-2-thiophenecarboxylate

Base Information

Chemical Name:Methyl 3-(4-phenyl-1-butyn-1-yl)-2-thiophenecarboxylate
CAS No.:152771-68-1
Molecular Formula:C₁₆H₁₄O₂S
Molecular Weight:270.352
Hs Code.:
DSSTox Substance ID:DTXSID601203338

Synonyms:Methyl 3-(4-phenyl-1-butyn-1-yl)-2-thiophenecarboxylate;DTXSID601203338;152771-68-1

Suppliers and Price of Methyl 3-(4-phenyl-1-butyn-1-yl)-2-thiophenecarboxylate

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

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Chemical Property of Methyl 3-(4-phenyl-1-butyn-1-yl)-2-thiophenecarboxylate

Chemical Property:

XLogP3:4.4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:270.07145086
Heavy Atom Count:19
Complexity:359

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:COC(=O)C1=C(C=CS1)C#CCCC2=CC=CC=C2

Technology Process of Methyl 3-(4-phenyl-1-butyn-1-yl)-2-thiophenecarboxylate

There total 1 articles about Methyl 3-(4-phenyl-1-butyn-1-yl)-2-thiophenecarboxylate 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: 96.0%

: 26137-08-6
methyl 3-bromothiophene-2-carboxylate

: 16520-62-0
4-Phenyl-1-butyne

: 152771-68-1
methyl 3-(4-phenylbut-1-yn-1-yl)thiophene-2-carboxylate

Guidance literature:: With bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; diisopropylamine; at 70 ℃; for 15h; Inert atmosphere;
DOI:10.1002/ejoc.202000468

Reference yield: 87.0%

: 152771-68-1
methyl 3-(4-phenylbut-1-yn-1-yl)thiophene-2-carboxylate

: 3-(4-phenylbut-1-yn-1-yl)thiophene-2-carboxylic acid

Guidance literature:: With water; sodium hydroxide; In tetrahydrofuran; at 50 ℃; for 15h;
DOI:10.1002/ejoc.202000468

Reference yield:

: 152771-68-1
methyl 3-(4-phenylbut-1-yn-1-yl)thiophene-2-carboxylate

: 152771-57-8
2-(1-Oxo-2-diazoethyl)-3-(4-phenyl-1-butynyl)thiophene

Guidance literature:: Multi-step reaction with 2 steps

1: 1.) potassium trimethylsilanolate, 2.) methylchloroformate / 1.) ether, 2 h, 2.) ether, 25 deg C, 2 h

2: diethyl ether / 16 h / 25 °C

With potassium trimethylsilonate; methyl chloroformate; In diethyl ether;
DOI:10.1021/jo00075a045