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2-(3-Isobutylphenyl)propionic Acid

Base Information Edit
  • Chemical Name:2-(3-Isobutylphenyl)propionic Acid
  • CAS No.:66622-47-7
  • Molecular Formula:C13H18O2
  • Molecular Weight:206.285
  • Hs Code.:2916399090
  • European Community (EC) Number:641-448-2
  • UNII:JIL536872H
  • ChEMBL ID:CHEMBL187556
  • Nikkaji Number:J3.657.510G
  • Wikidata:Q27281527
  • Mol file:66622-47-7.mol
2-(3-Isobutylphenyl)propionic Acid

Synonyms:66622-47-7;2-(3-isobutylphenyl)propanoic acid;2-(3-Isobutylphenyl)propionic Acid;m-Isobutyl Ibuprofen;2-[3-(2-methylpropyl)phenyl]propanoic Acid;m-IsobutylIbuprofen-d3;JIL536872H;(2RS)-2-(3-(2-Methylpropyl)phenyl)propanoic acid;1346598-90-0;(2RS)-2-[3-(2-Methylpropyl)phenyl]propanoic Acid;(2RS)-2-[3-(2-Methylpropyl)phenyl] propanoic acid;UNII-JIL536872H;Ibuprofen specified impurity A [EP];alpha-(3-Isobutylphenyl)propionic acid;alpha-Methyl-3-(2-methylpropyl)phenylacetic acid;SCHEMBL66534;Benzeneacetic acid, alpha-methyl-3-(2-methylpropyl)-;CHEMBL187556;2-(3-isobutylphenyl)propanoicacid;MFCD08275582;AKOS023890981;AS-48148;PD179849;IBUPROFEN IMPURITY A [EP IMPURITY];FT-0670423;EN300-206804;F19283;.ALPHA.-(3-ISOBUTYLPHENYL)PROPIONIC ACID;2-[3-(2-methyl-propyl)-phenyl]-propionic acid;W-203466;Q27281527;Z1508927883;.ALPHA.-METHYL-3-(2-METHYLPROPYL)PHENYLACETIC ACID;BENZENEACETIC ACID, .ALPHA.-METHYL-3-(2-METHYLPROPYL)-;Ibuprofen Imp. A (EP);Ibuprofen Impurity A

Suppliers and Price of 2-(3-Isobutylphenyl)propionic Acid
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
  • Usbiological
  • m-Isobutyl Ibuprofen
  • 25mg
  • $ 460.00
  • TRC
  • m-IsobutylIbuprofen
  • 250mg
  • $ 1455.00
  • American Custom Chemicals Corporation
  • 2-(3-ISOBUTYLPHENYL)PROPANOIC ACID 95.00%
  • 25MG
  • $ 750.75
  • American Custom Chemicals Corporation
  • 2-(3-ISOBUTYLPHENYL)PROPANOIC ACID 95.00%
  • 250MG
  • $ 1963.50
  • AK Scientific
  • 2-(3-isobutylphenyl)propanoicacid
  • 10g
  • $ 6594.00
  • AK Scientific
  • 2-(3-isobutylphenyl)propanoicacid
  • 1g
  • $ 1633.00
  • AK Scientific
  • 2-(3-isobutylphenyl)propanoicacid
  • 100mg
  • $ 653.00
Total 43 raw suppliers
Chemical Property of 2-(3-Isobutylphenyl)propionic Acid Edit
Chemical Property:
  • Boiling Point:314.8±11.0 °C(Predicted) 
  • PKA:4.35±0.10(Predicted) 
  • PSA:37.30000 
  • Density:1.029±0.06 g/cm3(Predicted) 
  • LogP:3.07320 
  • Storage Temp.:Refrigerator 
  • Solubility.:Chloroform (Slightly), Methanol (Slightly) 
  • XLogP3:3.5
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:2
  • Rotatable Bond Count:4
  • Exact Mass:206.130679813
  • Heavy Atom Count:15
  • Complexity:211
Purity/Quality:

99% *data from raw suppliers

m-Isobutyl Ibuprofen *data from reagent suppliers

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

SDS file from LookChem

Useful:
  • Canonical SMILES:CC(C)CC1=CC(=CC=C1)C(C)C(=O)O
  • Uses m-Isobutyl Ibuprofen is an Ibuprofen (I140000) impurity used in the study of potent noncompetitive interleukin-8 inhibitors. m-Isobutyl Ibuprofen (Ibuprofen EP Impurity A) is an Ibuprofen (I140000) impurity used in the study of potent noncompetitive interleukin-8 inhibitors.
Technology Process of 2-(3-Isobutylphenyl)propionic Acid

There total 7 articles about 2-(3-Isobutylphenyl)propionic Acid 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:
In methanol; water; at 45 ℃; for 5h; pH=2 - 3;
Guidance literature:
In N,N-dimethyl-formamide; at 5 ℃; electrochemical oxidation;
DOI:10.1016/S0040-4039(00)98538-1
Guidance literature:
With hydrogen iodide; In water; at 100 ℃; for 4h; Sealed tube;
DOI:10.1021/cs401075z
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