Ibuprofen butyl

Base Information

Chemical Name:Ibuprofen butyl
CAS No.:64622-49-7
Molecular Formula:C₁₇H₂₆O₂
Molecular Weight:262.392
Hs Code.:
DSSTox Substance ID:DTXSID701182513
Nikkaji Number:J588.042D
ChEMBL ID:CHEMBL2235847

Synonyms:Ibuprofen butyl;Ibuprofen, butyl ester;CHEMBL2235847;SCHEMBL13291917;JMYISEMZJYEMCF-UHFFFAOYSA-N;DTXSID701182513;butyl 2-(4-isobutylphenyl)propanoate;Benzeneacetic acid, alpha-methyl-4-(2-methylpropyl)-, butyl ester;64622-49-7

Suppliers and Price of Ibuprofen butyl

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 0 raw suppliers

Chemical Property of Ibuprofen butyl

Chemical Property:

XLogP3:5.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:8
Exact Mass:262.193280068
Heavy Atom Count:19
Complexity:252

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CCCCOC(=O)C(C)C1=CC=C(C=C1)CC(C)C

Technology Process of Ibuprofen butyl

There total 3 articles about Ibuprofen butyl 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: 98.0%

: 15687-27-1,58560-75-1
ibuprofen

: 71-36-3
butan-1-ol

: 64622-49-7
n-butyl 2-(4-isobutyl-phenyl)propionate

Guidance literature:: With sulfuric acid; acetonitrile; at 80 - 85 ℃; for 16 - 18h;
DOI:10.1080/00397911.2013.837485

Reference yield: 92.3%

: 71381-91-4,114978-05-1,115588-20-0,34715-60-1
(+/-)-2-(4-isobutylphenyl)propanoyl chloride

: 71-36-3
butan-1-ol

: 64622-49-7
n-butyl 2-(4-isobutyl-phenyl)propionate

Guidance literature:: In dichloromethane;
DOI:10.1016/j.tetasy.2005.07.009

Reference yield:

: 15687-27-1,58560-75-1
ibuprofen

: 64622-49-7
n-butyl 2-(4-isobutyl-phenyl)propionate

Guidance literature:: Multi-step reaction with 2 steps

1: thionyl chloride; pyridine / benzene / Heating

2: 92.3 percent / CH₂Cl₂

With pyridine; thionyl chloride; In dichloromethane; benzene;
DOI:10.1016/j.tetasy.2005.07.009