Name: Name:2-(4-(2-Hydroxy-2-methylpropyl)phenyl)propanoic acid
Brand: AABLOCKS
SKU: AA00DAKM
Rating: 90 (10 reviews)

Catalog No.: AA00DAKM

51146-55-5 | 2-(4-(2-Hydroxy-2-methylpropyl)phenyl)propanoic acid

Pack Size： 1mg

Purity： ≥95%

in stock

$173.00 $121.00

Pack Size： 5mg

Purity： ≥95%

in stock

$733.00 $513.00

Pack Size： 10mg

Purity： ≥95%

in stock

$1,202.00 $841.00

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Technical Information

Catalog Number: AA00DAKM

Chemical Name: 2-(4-(2-Hydroxy-2-methylpropyl)phenyl)propanoic acid

CAS Number: 51146-55-5

Molecular Formula: C13H18O3

Molecular Weight: 222.2802

MDL Number: MFCD08275592

SMILES: CC(c1ccc(cc1)CC(O)(C)C)C(=O)O

Properties

Form: Solid

MP: 120-122℃

Storage: 2-8℃;Keep in dry area;

Complexity: 240

Covalently-Bonded Unit Count: 1

Defined Atom Stereocenter Count: 0

Defined Bond Stereocenter Count: 0

Formal Charge: 0

Heavy Atom Count: 16

Hydrogen Bond Acceptor Count: 3

Hydrogen Bond Donor Count: 2

Isotope Atom Count: 0

Rotatable Bond Count: 4

Undefined Atom Stereocenter Count: 1

Undefined Bond Stereocenter Count: 0

XLogP3: 2.1

Downstream Synthesis Route

75626-01-6

51146-55-5

[1]Kurtz,RichardR.;Houser,DavidJ.[JournalofOrganicChemistry,1981,vol.46,#1,p.202-203]

15687-27-1

51146-55-5

[1]Segrestaa,Jerome;Verite,Philippe;Estour,Francois;Menager,Sabine;Lafont,Olivier[Chemicalandpharmaceuticalbulletin,2002,vol.50,#6,p.744-748]

[2]Kurtz,RichardR.;Houser,DavidJ.[JournalofOrganicChemistry,1981,vol.46,#1,p.202-203]

[3]Locationinpatent:experimentalpartTsotsou,GeorgiaE.;Sideri,Anastasia;Goyal,Abhineet;DiNardo,Giovanna;Gilardi,Gianfranco[Chemistry-AEuropeanJournal,2012,vol.18,#12,p.3582-3588]

[4]Locationinpatent:experimentalpartPoraj-Kobielska,Marzena;Kinne,Matthias;Ullrich,Rene;Scheibner,Katrin;Kayser,Gernot;Hammel,KennethE.;Hofrichter,Martin[BiochemicalPharmacology,2011,vol.82,#7,p.789-796]

[5]Kern,Fredy;Khatri,Yogan;Litzenburger,Martin;Bernhardt,Rita[DrugMetabolismandDisposition,2016,vol.44,#4,p.495-504]

75625-99-9

51146-55-5

[1]Kurtz,RichardR.;Houser,DavidJ.[JournalofOrganicChemistry,1981,vol.46,#1,p.202-203]

75625-98-8

51146-55-5

[1]Kurtz,RichardR.;Houser,DavidJ.[JournalofOrganicChemistry,1981,vol.46,#1,p.202-203]

Literature fold

Title: Metabolism of ibuprofen in zebrafish larvae.

Journal: Xenobiotica; the fate of foreign compounds in biological systems20121101

Title: QuEChERS: a new sample preparation approach for the determination of ibuprofen and its metabolites in soils.

Journal: The Science of the total environment20120901

Title: Removal of ibuprofen and its transformation products: experimental and simulation studies.

Journal: The Science of the total environment20120901

Title: Evaluation of aquatic plants for removing polar microcontaminants: a microcosm experiment.

Journal: Chemosphere20120801

Title: Identification of mutant Asp251Gly/Gln307His of cytochrome P450 BM3 for the generation of metabolites of diclofenac, ibuprofen and tolbutamide.

Journal: Chemistry (Weinheim an der Bergstrasse, Germany)20120319

Title: Production and NMR analysis of the human ibuprofen metabolite 3-hydroxyibuprofen.

Journal: Journal of biotechnology20120210

Title: LC-MS-MS determination of ibuprofen, 2-hydroxyibuprofen enantiomers, and carboxyibuprofen stereoisomers for application in biotransformation studies employing endophytic fungi.

Journal: Analytical and bioanalytical chemistry20110101

Title: Behaviour of pharmaceutical products and biodegradation intermediates in horizontal subsurface flow constructed wetland. A microcosm experiment.

Journal: The Science of the total environment20080501

Title: Elimination of pharmaceuticals and personal care products in subsurface flow constructed wetlands.

Journal: Environmental science & technology20060915

Title: Pathways and metabolites of microbial degradation of selected acidic pharmaceutical and their occurrence in municipal wastewater treated by a membrane bioreactor.

Journal: Water research20050701

Title: The secretion of ibuprofen metabolites interferes with the capillary chromatography of urinary homovanillic acid and 4-hydroxy-3-methoxymandelic acid in neuroblastoma diagnosis.

Journal: Clinical chemistry and laboratory medicine20050101

Title: Determination of selected pharmaceuticals and caffeine in sewage and seawater from Tromsø/Norway with emphasis on ibuprofen and its metabolites.

Journal: Chemosphere20040801

Title: Effect of sodium/potassium salt (potash) on the bioavailability of ibuprofen in healthy human volunteers.

Journal: European journal of drug metabolism and pharmacokinetics20030101

Title: Effect of Tamarindus indica. L on the bioavailability of ibuprofen in healthy human volunteers.

Journal: European journal of drug metabolism and pharmacokinetics20030101

Title: Metabolites from the biodegradation of pharmaceutical residues of ibuprofen in biofilm reactors and batch experiments.

Journal: Analytical and bioanalytical chemistry20020201

Title: Selective degradation of ibuprofen and clofibric acid in two model river biofilm systems.

Journal: Water research20010901

Title: Noreen Y, et al. Development of a radiochemical cyclooxygenase-1 and -2 in vitro assay for identification of natural products as inhibitors of prostaglandin biosynthesis. J Nat Prod. 1998 Jan;61(1):2-7.