Catalog No.:AA003JSU

4593-90-2 | 3-Phenylbutyric acid

Name: Name:3-Phenylbutyric acid
Brand: AABLOCKS
SKU: AA003JSU
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Technical Information
Properties
Downstream Synthesis Route
Literature
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Technical Information
Properties
Downstream Synthesis Route
Literature

Technical Information

Catalog Number:

AA003JSU

Chemical Name:

3-Phenylbutyric acid

CAS Number:

4593-90-2

Molecular Formula:

C10H12O2

Molecular Weight:

164.2011

MDL Number:

MFCD08458006

SMILES:

CC(c1ccccc1)CC(=O)O

Properties

BP:

288°C at 760 mmHg

Form:

Solid

MP:

35-38 °C(lit.)

Refractive Index:

1.5160 (estimate)

Storage:

Keep in dry area;Room Temperature;

Computed Properties

Complexity:

148

Covalently-Bonded Unit Count:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Rotatable Bond Count:

Undefined Atom Stereocenter Count:

XLogP3:

2.2

Downstream Synthesis Route

4593-90-2

485-71-2

772-14-5

[1]JournalofBiologicalChemistry,1933,vol.100,p.685,688

627-00-9

71-43-2

4593-90-2

1821-12-1

[1]BulletinoftheAcademyofSciencesoftheUSSRDivisionofChemicalScience,1987,vol.36,p.327-330 IzvestiyaAkademiiNaukSSSR,SeriyaKhimicheskaya,1987,p.367-371

C13H16Br2O2

96-13-9

4593-90-2

[1]AngewandteChemie-InternationalEdition,2011,vol.50,p.8584-8587

67-56-1

4593-90-2

2328-26-9

[1]ChemicalCommunications,2011,vol.47,p.11784-11786

1864-94-4

98-83-9

4593-90-2

[1]OrganicLetters,2014,vol.16,p.5960-5963

Literature

Title: Structure-anti-leukemic activity relationship study of ortho-dihydroxycoumarins in U-937 cells: key role of the δ-lactone ring in determining differentiation-inducing potency and selective pro-apoptotic action.

Journal: Bioorganic & medicinal chemistry 20120915

Title: A combination of in vivo selection and cell sorting for the identification of enantioselective biocatalysts.

Journal: Angewandte Chemie (International ed. in English) 20110905

Title: Oxidation of aliphatic, branched chain, and aromatic hydrocarbons by Nocardia cyriacigeorgica isolated from oil-polluted sand samples collected in the Saudi Arabian Desert.

Journal: Journal of basic microbiology 20100601

Title: Epigenetic regulation of microRNA expression in colorectal cancer.

Journal: International journal of cancer 20091201

Title: Thermostable lipases from the extreme thermophilic anaerobic bacteria Thermoanaerobacter thermohydrosulfuricus SOL1 and Caldanaerobacter subterraneus subsp. tengcongensis.

Journal: Extremophiles : life under extreme conditions 20090901

Title: Simoni S, et al. Enantioselective Metabolism of Chiral 3-Phenylbutyric Acid, an Intermediate of Linear Alkylbenzene Degradation, by Rhodococcus rhodochrous PB1. Appl Environ Microbiol. 1996 Mar;62(3):749-55.

Title: Sariaslani FS, et al. Degradation of 3-phenylbutyric acid by Pseudomonas sp. J Bacteriol. 1982 Oct;152(1):411-21.

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