Methyl 4-(5-hydroxy-1-pentynyl)benzoate

Base Information

Chemical Name:Methyl 4-(5-hydroxy-1-pentynyl)benzoate
CAS No.:123910-87-2
Molecular Formula:C₁₃H₁₄O₃
Molecular Weight:218.252
Hs Code.:
DSSTox Substance ID:DTXSID701268575
Nikkaji Number:J2.375.346D

Synonyms:123910-87-2;SCHEMBL1314552;GULZZYPYFIAHDS-UHFFFAOYSA-N;DTXSID701268575;methyl 4-(5-hydroxy-1-pentynyl)benzoate;Methyl 4-(5-hydroxy-1-pentyn-1-yl)benzoate;Methyl 4-(5-hydroxypent-1-yn-1-yl)benzoate;4-(5-Hydroxy-1-pentynyl)benzoic acid methyl ester;4-(5-hydroxy-pent-1-ynyl)-benzoic acid methyl ester

Suppliers and Price of Methyl 4-(5-hydroxy-1-pentynyl)benzoate

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-(5-hydroxy-1-pentynyl)benzoate

Chemical Property:

XLogP3:2.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:218.094294304
Heavy Atom Count:16
Complexity:276

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

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

Technology Process of Methyl 4-(5-hydroxy-1-pentynyl)benzoate

There total 3 articles about Methyl 4-(5-hydroxy-1-pentynyl)benzoate 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: 88.0%

: 5390-04-5
pent-1-yn-5-ol

: 619-44-3
methyl 4-iodobenzoate

: 123910-87-2
methyl 4-(5-hydroxypent-1-yn-1-yl)benzoate

Guidance literature:: methyl 4-iodobenzoate; With bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; In tetrahydrofuran; at 20 ℃; for 0.0833333h; Inert atmosphere;

pent-1-yn-5-ol; With triethylamine; In tetrahydrofuran; at 20 ℃; for 18h; Inert atmosphere;

Reference yield: 83.0%

: 5390-04-5
pent-1-yn-5-ol

: 619-42-1
4-methoxycarbonylphenyl bromide

: 123910-87-2
methyl 4-(5-hydroxypent-1-yn-1-yl)benzoate

Guidance literature:: With copper(l) iodide; diethylamine; triphenylphosphine; palladium dichloride; for 18h; Ambient temperature;
DOI:10.1021/jo00297a044