Benzenepropanoic acid, 4-(2-methylpropyl)-, methyl ester

Base Information

Chemical Name:Benzenepropanoic acid, 4-(2-methylpropyl)-, methyl ester
CAS No.:63753-05-9
Molecular Formula:C14H20O2
Molecular Weight:220.312
Hs Code.:
DSSTox Substance ID:DTXSID90432538
Nikkaji Number:J3.560.523A
Wikidata:Q82246604

Synonyms:63753-05-9;Benzenepropanoic acid, 4-(2-methylpropyl)-, methyl ester;SCHEMBL7930119;DTXSID90432538;J3.560.523A;3-(4-Isobutylphenyl)propanoic acid methyl ester

Suppliers and Price of Benzenepropanoic acid, 4-(2-methylpropyl)-, methyl ester

Supply Marketing:

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

Manufacturers and distributors:

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Chemical Property of Benzenepropanoic acid, 4-(2-methylpropyl)-, methyl ester

Chemical Property:

PSA：26.30000
LogP:2.99070
XLogP3:3.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:6
Exact Mass:220.146329876
Heavy Atom Count:16
Complexity:203

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)CC1=CC=C(C=C1)CCC(=O)OC

Technology Process of Benzenepropanoic acid, 4-(2-methylpropyl)-, methyl ester

There total 3 articles about Benzenepropanoic acid, 4-(2-methylpropyl)-, methyl ester 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:

: 67-56-1
methanol

: 201230-82-2
carbon monoxide

: 63444-56-4
p-isobutylstyrene

: 61566-34-5
(+/-)-ibuprofen methyl ester

: 63753-05-9
methyl 3-(4-isobutylphenyl)propanoate

Guidance literature:: With pyridine; C₅₁H₁₀₁N₂O₂₂⁽¹⁺⁾*C₄CoO₄^(1-); In tetrahydrofuran; n-heptane; at 150 ℃; for 32h; under 52505.3 Torr; Reagent/catalyst; Solvent; Autoclave; Inert atmosphere; Green chemistry;
DOI:10.1016/j.molcata.2016.01.015

Reference yield:

: 67-56-1
methanol

: 201230-82-2
carbon monoxide

: 63753-06-0
1-isobutyl-4-(1-methoxyethyl)benzene

: 61566-34-5
(+/-)-ibuprofen methyl ester

: 63753-05-9
methyl 3-(4-isobutylphenyl)propanoate

Guidance literature:: With palladium diacetate; toluene-4-sulfonic acid; bis[2-(diphenylphosphino)phenyl] ether; In toluene; at 130 ℃; for 18h; under 18751.9 Torr; Overall yield = 93 percent; regioselective reaction; Autoclave;
DOI:10.1002/ejoc.201901592