ChemicalBook--->CAS DataBase List--->4652-27-1

4652-27-1

4652-27-1 Structure

4652-27-1 Structure
IdentificationBack Directory
[Name]

4-METHOXY-3-BUTEN-2-ONE
[CAS]

4652-27-1
[Synonyms]

NSC 66263
Methoxy-3-buten
4-METHOXY-3-BUTEN-2-ONE
4-methoxybut-3-en-2-one
1-Methoxy-1-buten-3-one
(E)-4-methoxybut-3-en-2-one
4-Methoxy-3-buten-2-one ,95%
2-Methoxyvinyl methyl ketone
TRANS-1-METHOXY-1-BUTEN-3-ONE
TRANS-4-METHOXY-3-BUTEN-2-ONE
3-buten-2-one, 4-methoxy-, (3Z)-
4-Methoxy-3-buten-2-one, 90%,tech
4-Methoxy-3-buten-2-one, tech., 90%
[EINECS(EC#)]

257-364-0
[Molecular Formula]

C5H8O2
[MDL Number]

MFCD00008778
[MOL File]

4652-27-1.mol
[Molecular Weight]

100.12
Chemical PropertiesBack Directory
[Appearance]

clear yellow liquid
[Boiling point ]

200 °C(lit.)
[density ]

0.982 g/mL at 25 °C(lit.)
[refractive index ]

n20/D 1.468(lit.)
[Fp ]

146 °F
[storage temp. ]

2-8°C
[solubility ]

Miscible with tetrahydrofuran, ether, acetonitrile and benzene.
[form ]

Liquid
[color ]

Clear yellow
[BRN ]

1741053
[InChI]

InChI=1S/C5H8O2/c1-5(6)3-4-7-2/h3-4H,1-2H3
[InChIKey]

VLLHEPHWWIDUSS-UHFFFAOYSA-N
[SMILES]

CC(=O)C=COC
Hazard InformationBack Directory
[Chemical Properties]

clear yellow liquid
[Uses]

4-Methoxy-3-buten-2-one is an important precursor for the synthesis of 1-methoxy-3-trimethylsilyloxy-1,3-butadiene and the Danishefsky diene and its equivalent. It is widely used as a reactant in the synthesis of hydroisoquinoline derivatives. It is employed as an intermediate for the synthesis of manzamine.
[Toxics Screening Level]

Due to a lack of available toxicity information the ITSL is being set at the default value of 0.1 μg/m3 with annual averaging, based on R232(1)(i).
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H227
[Precautionary statements ]

P210e-P280a-P370+P378a-P403+P235-P501a
[Safety Statements ]

23-24/25
[WGK Germany ]

3
[F ]

10-21
[HS Code ]

29145000
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Ethanol-->Methanol-->Diethyl ether-->Sodium-->Acetone-->Iodomethane-->Sodium Methoxide-->Sodium acetate-->Ethyl formate-->Acetylacetaldehyde dimethyl acetal-->3-Buten-2-one, 4-chloro-, (3E)--->Carbonic acid, methyl ester, ester with 4-hydroxy-3-buten-2-one (7CI,8CI)-->2-Phenylpropionaldehyde-->1-Methoxy-1-buten-3-yne-->1-Methoxy-3-trimethylsiloxy-1,3-butadiene-->1-Methoxy-3-trimethylsiloxy-1,3-butadiene-->Trifluoroacetophenone
Spectrum DetailBack Directory
[Spectrum Detail]

4-METHOXY-3-BUTEN-2-ONE(4652-27-1)MS
4-METHOXY-3-BUTEN-2-ONE(4652-27-1)1HNMR
4-METHOXY-3-BUTEN-2-ONE(4652-27-1)13CNMR
4-METHOXY-3-BUTEN-2-ONE(4652-27-1)IR1
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