5-Oxo-5-phenylvaleric acid - CAS 1501-05-9
Catalog: |
BB010486 |
Product Name: |
5-Oxo-5-phenylvaleric acid |
CAS: |
1501-05-9 |
Synonyms: |
5-oxo-5-phenylpentanoic acid |
IUPAC Name: | 5-oxo-5-phenylpentanoic acid |
Description: | 5-Oxo-5-phenylvaleric acid (CAS# 1501-05-9) is used in various synthetic preparations. It is used in the synthesis of fulleroid and methanofullerene derivatives. Also used in tertiary amino urea-catalyzed enantioselective iodolactonization. |
Molecular Weight: | 192.21 |
Molecular Formula: | C11H12O3 |
Canonical SMILES: | C1=CC=C(C=C1)C(=O)CCCC(=O)O |
InChI: | InChI=1S/C11H12O3/c12-10(7-4-8-11(13)14)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,13,14) |
InChI Key: | SHKWSBAVRQZYLE-UHFFFAOYSA-N |
Boiling Point: | 380.8 °C at 760 mmHg |
Melting Point: | 126-129 °C (lit.) |
Purity: | 95 % |
Density: | 1.164 g/cm3 |
Appearance: | Off-white to light beige crystalline powder |
MDL: | MFCD00004411 |
LogP: | 2.12420 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112824392-A | Quinoline derivative and preparation method and application thereof | 20191121 |
CN-109942473-A | A kind of method of catalyst-free synthesis lactam derivatives | 20190516 |
CN-109942473-B | Method for synthesizing lactam derivative without catalyst | 20190516 |
WO-2020228170-A1 | Catalyst-free synthesis method for lactam derivative | 20190516 |
US-2020377479-A1 | Inhibitors of apol1 and methods of using same | 20181217 |
PMID | Publication Date | Title | Journal |
20497425 | 20100901 | Structure-activity relationship of butyrate analogues on apoptosis, proliferation and histone deacetylase activity in HCT-116 human colorectal cancer cells | Clinical and experimental pharmacology & physiology |
19930426 | 20100401 | Efficacy of butyrate analogues in HT-29 cancer cells | Clinical and experimental pharmacology & physiology |
16281565 | 20031001 | [Study on the degradation pathway of biphenyl by Rhodococcus pyridinovorans R04] | Wei sheng wu xue bao = Acta microbiologica Sinica |
11935189 | 20020301 | Degradation of biphenyl by Mycobacterium sp. strain PYR-1 | Applied microbiology and biotechnology |
Complexity: | 205 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 192.078644241 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 192.078644241 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 54.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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