Methyl 4-(5-hydroxypentyl)benzoate

Base Information

Chemical Name:Methyl 4-(5-hydroxypentyl)benzoate
CAS No.:123910-89-4
Molecular Formula:C₁₃H₁₈O₃
Molecular Weight:222.284
Hs Code.:
DSSTox Substance ID:DTXSID701238308

Synonyms:123910-89-4;methyl 4-(5-hydroxypentyl)benzoate;SCHEMBL2654036;DTXSID701238308;AT19983;Benzoic acid, 4-(5-hydroxypentyl)-, methyl ester

Suppliers and Price of Methyl 4-(5-hydroxypentyl)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-hydroxypentyl)benzoate

Chemical Property:

XLogP3:3.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:7
Exact Mass:222.125594432
Heavy Atom Count:16
Complexity:195

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:COC(=O)C1=CC=C(C=C1)CCCCCO

Technology Process of Methyl 4-(5-hydroxypentyl)benzoate

There total 4 articles about Methyl 4-(5-hydroxypentyl)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: 100.0%

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

: 123910-89-4
methyl 4-(5-hydroxypent-1-yl)benzoate

Guidance literature:: With hydrogen; palladium on activated charcoal; In ethanol; for 12h; under 2585.7 Torr;
DOI:10.1021/jo00297a044

Reference yield:

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

: 123910-89-4
methyl 4-(5-hydroxypent-1-yl)benzoate

Guidance literature:: Multi-step reaction with 2 steps

1: 83 percent / palladium chloride, triphenylphosphine, copper(I) iodide, diethylamine / 18 h / Ambient temperature

2: 100 percent / hydrogen / 5percent Pd/C / ethanol / 12 h / 2585.7 Torr

With copper(l) iodide; hydrogen; diethylamine; triphenylphosphine; palladium dichloride; palladium on activated charcoal; In ethanol;
DOI:10.1021/jo00297a044

Reference yield:

: 619-42-1
4-methoxycarbonylphenyl bromide

: 123910-89-4
methyl 4-(5-hydroxypent-1-yl)benzoate

Guidance literature:: Multi-step reaction with 2 steps

1: 83 percent / palladium chloride, triphenylphosphine, copper(I) iodide, diethylamine / 18 h / Ambient temperature

2: 100 percent / hydrogen / 5percent Pd/C / ethanol / 12 h / 2585.7 Torr

With copper(l) iodide; hydrogen; diethylamine; triphenylphosphine; palladium dichloride; palladium on activated charcoal; In ethanol;
DOI:10.1021/jo00297a044