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Merck
CN

183911

Sigma-Aldrich

2-氯乙酰乙酸甲酯

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About This Item

线性分子式:
CH3COCH(Cl)CO2CH3
CAS号:
分子量:
150.56
EC 号:
MDL编号:
UNSPSC代码:
12352100
PubChem化学物质编号:
NACRES:
NA.22

表单

liquid

折射率

n20/D 1.446 (lit.)

沸点

137 °C (lit.)

mp

−33-−32.7 °C (lit.)

密度

1.236 g/mL at 25 °C (lit.)

SMILES字符串

COC(=O)C(Cl)C(C)=O

InChI

1S/C5H7ClO3/c1-3(7)4(6)5(8)9-2/h4H,1-2H3

InChI key

GYQRIAVRKLRQKP-UHFFFAOYSA-N

应用

Methyl 2-chloroacetoacetate was used in one-pot synthesis of 2-arylimidazole-4-carboxylic acids. It was also used in synthesis of 3,5-disubstituted 1,2,4-triazoles.

象形图

Exclamation mark

警示用语:

Warning

危险分类

Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

靶器官

Respiratory system

储存分类代码

10 - Combustible liquids

WGK

WGK 3

闪点(°F)

161.6 °F - closed cup

闪点(°C)

72 °C - closed cup

个人防护装备

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

法规信息

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分析证书(COA)

Lot/Batch Number

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'One-flask'synthesis to 3, 5-disubstituted 1, 2, 4-triazoles from aldehydes with hydrazonoyl hydrochlorides via 1, 3-dipolar cycloaddition.
Tseng W-C, et al.
Tetrahedron, 67(29), 5339-5345 (2011)
Joshua C Yoburn et al.
Organic letters, 7(17), 3801-3803 (2005-08-12)
A versatile, one-pot synthesis of 2-arylimidazole-4-carboxylic acids from arylamidines and methyl-2-chloroacetoacetate is described. The transformation is chemoselective, and reaction conditions are mild. Moreover, the flexibility of the strategy offers rapid access to two important classes of biaryl compounds, both 2-arylimidazoles

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