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Merck
CN

164011

3-氯-3-氧代丙酸甲酯

97%

别名:

丙二酸甲酯酰氯, 甲基丙二酰氯

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线性分子式:
CH3OCOCH2COCl
化学文摘社编号:
分子量:
136.53
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
253-540-6
Beilstein/REAXYS Number:
1754078
MDL number:
Assay:
97%
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产品名称

3-氯-3-氧代丙酸甲酯, 97%

InChI key

UTBCRHAMJFMIIR-UHFFFAOYSA-N

InChI

1S/C4H5ClO3/c1-8-4(7)2-3(5)6/h2H2,1H3

SMILES string

COC(=O)CC(Cl)=O

assay

97%

refractive index

n20/D 1.432 (lit.)

bp

57-59 °C/12 mmHg (lit.)

density

1.273 g/mL at 25 °C (lit.)

functional group

acyl chloride
ester

storage temp.

2-8°C

Quality Level

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Application

Methyl 3-chloro-3-oxopropionate was used as a reagent in the synthesis of resin-bound 4-tosyl quinolinone, 1-anthracen-9-ylmethyl 3-methyl 2,2-dimethylmalonate and 1-(4-(3,5-dihydropyren-1-yl)butyl)-3-methyl 2,2-dimethylmalonate.

General description

Methyl 3-chloro-3-oxopropionate reacts with 4-cyano-1,1′-biphenyl derivatives bearing ω-hydroxyalkyl substituents to yield liquid-crystalline linear malonates and cyanoacetates.

pictograms

CorrosionExclamation mark

signalword

Danger

hcodes

Hazard Classifications

Eye Dam. 1 - Skin Corr. 1B - STOT SE 3

target_organs

Respiratory system

存储类别

8A - Combustible corrosive hazardous materials

wgk

WGK 3

flash_point_f

176.0 °F - closed cup

flash_point_c

80 °C - closed cup

ppe

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

法规信息

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历史批次信息供参考:

分析证书(COA)

Lot/Batch Number

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Solvent-free microwave-assisted Bingel reaction in carbon nanohorns.
Economopoulos SP, et al.
Journal of Materials Chemistry, 19(39), 7326-7331 (2009)
A general solid phase synthesis of 4-substituted quinolinones via Pd-catalyzed cross coupling.
Xu C, et al.
Tetrahedron Letters, 47(28), 4885-4888 (3006)
Katharina C Kress et al.
Beilstein journal of organic chemistry, 8, 371-378 (2012-04-18)
4-Cyano-1,1'-biphenyl derivatives bearing ω-hydroxyalkyl substituents were reacted with methyl 3-chloro-3-oxopropionate or cyanoacetic acid, giving liquid-crystalline linear malonates and cyanoacetates. These compounds formed monotropic nematic phases at 62 °C down to ambient temperature upon cooling from the isotropic liquid. The mesomorphic

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