2-methyoxypropene

Product Information

Molecular Formula:
C4H8O
Molecular Weight:
72.10572
Description
2-Methoxypropene is a multifaceted chemical compound that is a pivotal reagent for syntheses and pharmaceutical preparations. 2-Methoxypropene can be used in drug synthesis including antiviral drugs and powerful anticancer drugs. In addition, it has applications in drug research for diseases related to inflammation, oxidative stress and neurodegeneration.
Synonyms
2-methoxyprop-1-ene; 2-Methoxypropene; Isopropenylmethylether; 1-Propene,2-methoxy-; 116-11-0; 2-Methoxy-1-propene
IUPAC Name
2-methoxyprop-1-ene
Canonical SMILES
CC(=C)OC
InChI
InChI=1S/C4H8O/c1-4(2)5-3/h1H2,2-3H3
InChI Key
YOWQWFMSQCOSBA-UHFFFAOYSA-N
Boiling Point
34-36ºC
Flash Point
-25 ℃
Purity
95%
Density
0.753
Appearance
clear colorless liquid
Application
Used as a laboratory reagent and an intermediate for 2-methoxyallyl bromide (an alkylating agent).
Storage
2-8ºC
Refractive Index
1.38
Vapor Pressure
517.0 [mmHg]

Safety Information

Hazards
H224:
Extremely flammable liquid and vapour.
H302:
Harmful if swallowed.
Precautionary Statement
P210:
Keep away from heat, sparks, open flames, hot surfaces. No smoking.
P233:
Keep container tightly closed.
P264:
Wash thoroughly after handling.
P370+P378:
In case of fire:
Use for extinction:
P403+P235:
Store in a well ventilated place.
Keep cool.
P501:
Dispose of contents/container in accordance with local/regional/national/international regulations.

Computed Properties

XLogP3
1.2
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
1
Rotatable Bond Count
1
Exact Mass
72.057514874 g/mol
Monoisotopic Mass
72.057514874 g/mol
Topological Polar Surface Area
9.2Ų
Heavy Atom Count
5
Formal Charge
0
Complexity
38.9
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-114198994-A Crystallization drying method capable of accurately monitoring water content in biological sugar preparation process 2022-02-18
CN-114057712-A Method for synthesizing chiral phenyl oxazolidine-2-ketone 2021-12-03
CN-113979847-A Method for synthesizing 6-methyl-5-octen-2-one by carbonyl-ene reaction 2021-11-30
CN-113999096-A Method for synthesizing 6-methyl-5-octen-2-one by condensation hydrogenation 2021-11-29
CN-114149310-A Preparation method of unsaturated ketone 2021-11-23
CN-113999100-A Preparation of methyl heptenone and method for mechanically applying raw materials 2021-10-29
CN-113666906-A Synthesis method of 2-chloro-1- (2, 2-dimethyl-4H-benzo [1,3] dioxin-6-yl) ethanone 2021-09-23
CN-113679690-A Theophylline dry powder preparation and preparation method and application thereof 2021-09-06
KR-102325062-B1 a method for manufacturing 3-O-alkyl-ascorbic acid 2021-08-15
CN-113880799-A Intermediate compound for preparing paclitaxel, synthesis method thereof and synthesis method of paclitaxel 2021-08-06

Literatures

PMID Publication Date Title Journal
20933224 2010-11-22 Glycosyl hydroperoxides derived from 2-deoxysugars Carbohydrate research
20538265 2010-07-19 Acetonation of L-pentoses and 6-deoxy-L-hexoses under kinetic control using heterogeneous acid catalysts Carbohydrate research
18641373 2008-12-01 Preparation of pure lipid hydroperoxides Journal of lipid research
18522416 2008-07-04 Identification of the aromatic tertiary N-oxide functionality in protonated analytes via ion/molecule reactions in mass spectrometers The Journal of organic chemistry
17253805 2007-02-02 Mechanism and chemoselectivity of the Pd(II)-catalyzed allylation of aldehydes: a density functional theory study The Journal of organic chemistry
14624592 2003-11-26 Exclusive formation of alpha-methyleneoxetanes in ketene-alkene cycloadditions. Evidence for intervention of both an alpha-methyleneoxetane and the subsequent 1,4-zwitterion Journal of the American Chemical Society
11902873 2002-03-27 Asymmetric catalysis of hetero-ene reactions with tridentate Schiff base chromium(III) complexes Journal of the American Chemical Society
11814440 2002-02-05 Mixed acetals of cyclodextrins. Preparation of hexakis-, heptakis- and octakis[2,6-di-O-(methoxydimethyl)methyl]-alpha-, beta- and gamma-cyclodextrins Carbohydrate research
11506155 2001-01-01 A new mixed acetal-type substitution pattern for alpha-cyclodextrin. Preparation of hexakis (3-O-benzyl)- alpha-cyclodextrin Carbohydrate letters
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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