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Merck
CN

18888

Methyl 2,4-pentadienoate

mixture of cis and trans, ≥97.0% (GC)

Synonym(s):

1,3-Butadiene-1-carboxylic acid methyl ester, 2,4-Pentadienoic acid methyl ester, Methyl 1,3-butadiene-1-carboxylate

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About This Item

Linear Formula:
CH2CHCHCHCOOCH3
CAS Number:
1515-75-9
Molecular Weight:
112.13
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
57647766
MDL number:
MFCD00042847
Beilstein/REAXYS Number:
1743332

Key Documents

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InChI

1S/C6H8O2/c1-3-4-5-6(7)8-2/h3-5H,1H2,2H3

SMILES string

COC(=O)C=CC=C

InChI key

LJDLNNZTQJVBNJ-UHFFFAOYSA-N

assay

≥97.0% (GC)

form

liquid

contains

~0.5% 2,6-di-tert.-butyl-4-methylphenol as stabilizer

refractive index

n20/D 1.484

bp

50-52 °C/20 mmHg (lit.)

density

0.964 g/mL at 20 °C

storage temp.

−20°C

General description

Methyl 2,4-pentadienoate undergoes Aza-Morita-Baylis-Hillman reaction with aldimines in DMF in the presence of 3-hydroxyquinuclidine.

pictograms

FlameExclamation mark
GHS02,GHS07

signalword

Warning

Hazard Classifications

Aquatic Chronic 3 - Eye Irrit. 2 - Flam. Liq. 3 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

3 - Flammable liquids

wgk

WGK 3

flash_point_f

98.6 °F - closed cup

flash_point_c

37 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

Regulatory Information

危险化学品
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Certificates of Analysis (COA)

Lot/Batch Number
BCBT1298
BCBQ4176V
BCBG9182V
1353015
1344491

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Jovina M Sorbetti et al.
The Journal of organic chemistry, 72(9), 3326-3331 (2007-03-27)
The aza-Morita-Baylis-Hillman reactions of aldimines 2 with several activated conjugated dienes were found to proceed smoothly in DMF in the presence of 3-hydroxyquinuclidine (HQD). Imines 2 reacted with 1-(p-toluenesulfonyl)-1,3-butadiene (3), methyl 2,4-pentadienoate (6), hexa-3,5-dien-2-one (7), and 1-phenylpenta-2,4-dien-1-one (8) to afford

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