3-Phenylglutaric Acid
Product Information
Molecular Formula
C11H12O4
Molecular Weight
208.21
Description
3-Phenylglutaric Acid (CAS# 4165-96-2) is useful in the synthesis of manganese catalysts for the stereoselective synthesis of cyclealkanes.
Synonyms
3-phenylpentanedioic acid; 3-phenylpentanedioic acid
IUPAC Name
3-phenylpentanedioic acid
SMILES
C1=CC=C(C=C1)C(CC(=O)O)CC(=O)O
InChI
InChI=1S/C11H12O4/c12-10(13)6-9(7-11(14)15)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,13)(H,14,15)
InChI Key
RZOKZOYSUCSPDF-UHFFFAOYSA-N
Boiling Point
379 °C
Melting Point
140-143 °C (lit.)
Flash Point
Not applicable
Purity
97 %
LogP
1.71960
Safety Information
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
Computed Properties
XLogP3
1.1
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
5
Exact Mass
208.07355886 g/mol
Monoisotopic Mass
208.07355886 g/mol
Topological Polar Surface Area
74.6Ų
Heavy Atom Count
15
Formal Charge
0
Complexity
215
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
Patents
| Publication Number | Title | Priority Date |
|---|---|---|
| CN-113583424-A | Polycarbonate composite material with Rayleigh scattering function | 2021-08-27 |
| JP-6956911-B1 | Antistatic agent | 2021-06-18 |
| CN-112939895-A | Glycyl amine derivative and preparation method and application thereof | 2021-02-08 |
| CN-112962165-A | Spandex fiber with reversible three-shape memory effect and preparation method and application thereof | 2021-01-21 |
| CN-112831033-A | Method for synthesizing aromatic-aliphatic copolyester without catalyst and product thereof | 2021-01-05 |
| CN-112663168-A | Spandex fiber with reversible shape memory effect and preparation method and application thereof | 2020-12-22 |
| CN-111978528-A | Method for synthesizing aromatic polyester without catalyst and product thereof | 2020-09-02 |
| CN-111978528-B | Method for synthesizing aromatic polyester without catalyst and product thereof | 2020-09-02 |
| JP-2022021149-A | A composition, a synthetic resin composition containing the composition, and a molded product thereof. | 2020-07-21 |
| JP-2021195399-A | Resin composition and automobile interior materials using it | 2020-06-10 |
Literatures
| PMID | Publication Date | Title | Journal |
|---|---|---|---|
| 21589418 | 2010-11-10 | Dimethyl 3-phenyl-penta-nedioate | Acta crystallographica. Section E, Structure reports online |
| 12036348 | 2002-06-06 | SAR and X-ray. A new approach combining fragment-based screening and rational drug design: application to the discovery of nanomolar inhibitors of Src SH2 | Journal of medicinal chemistry |
