(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
Canonical 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
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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