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Merck
CN

183911

Methyl 2-chloroacetoacetate

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About This Item

Linear Formula:
CH3COCH(Cl)CO2CH3
CAS Number:
4755-81-1
Molecular Weight:
150.56
NACRES:
NA.22
PubChem Substance ID:
24851080
UNSPSC Code:
12352100
EC Number:
225-286-6
MDL number:
MFCD00008757

Key Documents

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InChI key

GYQRIAVRKLRQKP-UHFFFAOYSA-N

InChI

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

SMILES string

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

form

liquid

refractive index

n20/D 1.446 (lit.)

bp

137 °C (lit.)

mp

−33-−32.7 °C (lit.)

density

1.236 g/mL at 25 °C (lit.)

Application

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.

pictograms

Exclamation mark
GHS07

signalword

Warning

Hazard Classifications

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

target_organs

Respiratory system

Storage Class

10 - Combustible liquids

wgk

WGK 3

flash_point_f

161.6 °F - closed cup

flash_point_c

72 °C - closed cup

ppe

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

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
MKCK7393
MKBX7361V
MKBL0826V
MKBK4738V
02030HJ

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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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