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Benzeneacetic acid, alpha-methyl-4-(2-methylpropyl)-, methyl ester, (alphaS)-

Base Information Edit
  • Chemical Name:Benzeneacetic acid, alpha-methyl-4-(2-methylpropyl)-, methyl ester, (alphaS)-
  • CAS No.:81576-55-8
  • Molecular Formula:C14H20O2
  • Molecular Weight:220.312
  • Hs Code.:
  • UNII:RAS2SW9888
  • DSSTox Substance ID:DTXSID301215229
  • Mol file:81576-55-8.mol
Benzeneacetic acid, alpha-methyl-4-(2-methylpropyl)-, methyl ester, (alphaS)-

Synonyms:81576-55-8;methyl (2S)-2-[4-(2-methylpropyl)phenyl]propanoate;(+)-Ibuprofen methyl ester;Ibuprofen methyl ester, (S)-;S-(+)-Ibuprofen methyl ester;Benzeneacetic acid, alpha-methyl-4-(2-methylpropyl)-, methyl ester, (alphaS)-;(S)-Ibuprofen Methyl Ester;UNII-RAS2SW9888;RAS2SW9888;Methyl (S)-2-(4-(isobutylphenyl)propanoate;Benzeneacetic acid, alpha-methyl-4-(2-methylpropyl)-, methyl ester, (S)-;Dexibuprofen Methyl Ester;SCHEMBL8001977;YNZYUHPFNYBBFF-NSHDSACASA-N;DTXSID301215229;AKOS037647126;AS-72477;D93131;methyl (S)-(+)-2-(4-isobutylphenyl)propionate;Q27288034;Methyl (alphaS)-alpha-methyl-4-(2-methylpropyl)benzeneacetate;BENZENEACETIC ACID, .ALPHA.-METHYL-4-(2-METHYLPROPYL)-, METHYL ESTER, (.ALPHA.S)-;BENZENEACETIC ACID, .ALPHA.-METHYL-4-(2-METHYLPROPYL)-, METHYL ESTER, (S)-

Suppliers and Price of Benzeneacetic acid, alpha-methyl-4-(2-methylpropyl)-, methyl ester, (alphaS)-
Supply Marketing:Edit
Business phase:
The product has achieved commercial mass production*data from LookChem market partment
Manufacturers and distributors:
  • Manufacture/Brand
  • Chemicals and raw materials
  • Packaging
  • price
Total 1 raw suppliers
Chemical Property of Benzeneacetic acid, alpha-methyl-4-(2-methylpropyl)-, methyl ester, (alphaS)- Edit
Chemical Property:
  • XLogP3:3.8
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:2
  • Rotatable Bond Count:5
  • Exact Mass:220.146329876
  • Heavy Atom Count:16
  • Complexity:215
Purity/Quality:

99% *data from raw suppliers

Safty Information:
  • Pictogram(s):  
  • Hazard Codes: 
MSDS Files:

SDS file from LookChem

Useful:
  • Canonical SMILES:CC(C)CC1=CC=C(C=C1)C(C)C(=O)OC
  • Isomeric SMILES:C[C@@H](C1=CC=C(C=C1)CC(C)C)C(=O)OC
Technology Process of Benzeneacetic acid, alpha-methyl-4-(2-methylpropyl)-, methyl ester, (alphaS)-

There total 37 articles about Benzeneacetic acid, alpha-methyl-4-(2-methylpropyl)-, methyl ester, (alphaS)- 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:
Guidance literature:
(S)-ibuprofen; With potassium carbonate; In acetone; for 0.166667h; Inert atmosphere;
methyl iodide; In acetone; Reflux;
DOI:10.1021/jacs.1c03872
Guidance literature:
With C44H60O2P2; copper(II) acetate monohydrate; In methanol; 5,5-dimethyl-1,3-cyclohexadiene; for 2h; Inert atmosphere;
Guidance literature:
With Yarrowia lipolytica Lip2p lipase; In decane; at 20 ℃; for 100h; enantioselective reaction; Kinetics; Enzymatic reaction;
DOI:10.1016/j.tetasy.2017.01.014
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