(2,3-EPOXYPROPYL)BENZENE
Product Information
Molecular Formula
C9H10O
Molecular Weight
134.18
Description
(2,3-Epoxypropyl)benzene is a specialized chemical compound used in biomedical research linked to brain tumors. It serves as a model substance in the study of chemoresistance mechanisms within glioblastoma, specifically targeting the regulation of anti-apoptotic MCL-1 protein.
Synonyms
(2,3-EPOXYPROPYL)BENZENE; (PHENYLMETHYL)OXIRANE; (2,3-epoxypropyl)-benzen; 2',3'-epoxyallylbenzene; 2-benzyloxirane; allylbenzene2',3'-epoxide; allylbenzeneoxide; benzylethyleneoxide
IUPAC Name
2-benzyloxirane
SMILES
C1C(O1)CC2=CC=CC=C2
InChI
InChI=1S/C9H10O/c1-2-4-8(5-3-1)6-9-7-10-9/h1-5,9H,6-7H2
InChI Key
JFDMLXYWGLECEY-UHFFFAOYSA-N
Boiling Point
98-100 °C/17 mmHg (lit.)
Flash Point
179.6 °CF - closed cup
Purity
0.98
Density
1.02
Refractive Index
n20/D 1.523 (lit.)
Safety Information
Hazards
H315 - H319 - H335
Precautionary Statement
P302 + P352 - P305 + P351 + P338
Computed Properties
XLogP3
1.9
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
1
Rotatable Bond Count
2
Exact Mass
134.073164938 g/mol
Monoisotopic Mass
134.073164938 g/mol
Topological Polar Surface Area
12.5Ų
Heavy Atom Count
10
Formal Charge
0
Complexity
105
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
1
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-113105489-A | Hydroxyl carborane derivative containing ether bond, modified curing agent, and preparation method and application thereof | 2021-03-31 |
| CN-113072431-A | High-selectivity synthesis method of propylene glycol phenyl ether | 2021-03-25 |
| WO-2022056053-A1 | Polypropylene polymer having ultra-high melt flow rate | 2020-09-09 |
| WO-2022052886-A1 | Cd73 inhibitor and application thereof in medicine | 2020-09-08 |
| CN-114133416-A | Preparation method of DMC catalyst and DMC catalyst prepared by same | 2020-09-03 |
| CN-112174868-A | Method for preparing ethylbenzene hydroperoxide by ethylbenzene reactive distillation and reactive distillation tower thereof | 2020-09-01 |
| CN-112174868-B | Method for preparing ethylbenzene hydroperoxide by ethylbenzene reactive distillation and reactive distillation tower thereof | 2020-09-01 |
| WO-2022046560-A1 | Fluorescent dye loaded polymeric taggants for depth determination in drilling wells | 2020-08-24 |
| JP-2022034429-A | Inner liner and pneumatic tires | 2020-08-18 |
| WO-2022030276-A1 | Photocationic curable composition and curable dental composition | 2020-08-07 |
Literatures
| PMID | Publication Date | Title | Journal |
|---|---|---|---|
| 22199882 | 2011-12-01 | 4-[(tert-Butyl-dimethyl-sil-yl)-oxy]-6-meth-oxy-7-methyl-5-(oxiran-2-ylmeth-yl)-2-benzofuran-3(1H)-one | Acta crystallographica. Section E, Structure reports online |
| 20544772 | 2010-07-05 | Modification of substrate specificity resulting in an epoxide hydrolase with shifted enantiopreference for (2,3-epoxypropyl)benzene | Chembiochem : a European journal of chemical biology |
| 19742173 | 2009-06-29 | Thermodynamics of surfactants, block copolymers and their mixtures in water: the role of the isothermal calorimetry | International journal of molecular sciences |
| 17689871 | 2007-09-01 | Engineering the enantioselectivity of glutathione transferase by combined active-site mutations and chemical modifications | Biochimica et biophysica acta |
| 17173332 | 2007-02-01 | Cloning of an epoxide hydrolase-encoding gene from Rhodotorula mucilaginosa and functional expression in Yarrowia lipolytica | Yeast (Chichester, England) |
| 16038959 | 2006-03-01 | Epoxidation of the methamphetamine pyrolysis product, trans-phenylpropene, to trans-phenylpropylene oxide by CYP enzymes and stereoselective glutathione adduct formation | Toxicology and applied pharmacology |
| 15289673 | 2004-08-01 | Hydrolytic kinetic resolution of the enantiomers of the structural isomers trans -1-phenylpropene oxide and (2,3-epoxypropyl)benzene by yeast epoxide hydrolase | Biotechnology letters |
| 11246123 | 2001-03-07 | Investigation of the role of the 2',3'-epoxidation pathway in the bioactivation and genotoxicity of dietary allylbenzene analogs | Toxicology |
