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155742-64-6

155742-64-6 Structure

155742-64-6 Structure
IdentificationBack Directory
[Name]

N-Methylcarbonyl-2-chloroacetamidrazone
[CAS]

155742-64-6
[Synonyms]

Aprepitant Stage-III (Impurity-D)
N-Methylcarbonyl-2-chloroacetamidrazone
N-carboMethoxy-2-chloroacetaMidohydrazone
(Z)-Methyl 2-(1-aMino-2-chloroethylidene)
N-(methoxycarbonyl)-2-chloroacetamidrazone
Methyl (Z)-2-chloro-1-hydrazino ethylidenecarbamate
Methyl 2-(2-chloro-1-iMinoethyl)hydrazinecarboxylate
2-(2-Chloro-1-iminoethyl)hydrazinecarboxylic Acid Methyl Ester
N'-(2-Chloro-1-iMino-ethyl)-hydrazinecarboxylic acid Methyl ester
Hydrazinecarboxylicacid, 2-(2-chloro-1-iMinoethyl)-, Methyl ester
N-Methylcarbonyl-2-chloroacetamidrazone 2-(2-Chloro-1-iminoethyl)hydrazinecarboxylic acid methyl ester
[EINECS(EC#)]

216-849-7
[Molecular Formula]

C4H8ClN3O2
[MDL Number]

MFCD09840880
[MOL File]

155742-64-6.mol
[Molecular Weight]

165.58
Chemical PropertiesBack Directory
[Appearance]

White Solid
[Melting point ]

>125°C (dec.)
[density ]

1.43
[storage temp. ]

under inert gas (nitrogen or Argon) at 2-8°C
[solubility ]

Chloroform (Slightly, Heated, Sonicated), DMSO (Slightly), Methanol (Slightly)
[form ]

Solid
[pka]

7.62±0.43(Predicted)
[color ]

Pale Beige to Light Beige
[InChI]

InChI=1S/C4H8ClN3O2/c1-10-4(9)8-7-3(6)2-5/h2H2,1H3,(H2,6,7)(H,8,9)
[InChIKey]

JAIGTTPBXVVFPN-UHFFFAOYSA-N
[SMILES]

N(C(OC)=O)NC(=N)CCl
Hazard InformationBack Directory
[Chemical Properties]

White Solid
[Uses]

N-Methylcarbonyl-2-chloroacetamidrazone is useful for preparing the intermediate of Fosaprepitant.
[Synthesis]

Nitrogen protection in 1000ml three-necked flask was added chloroacetonitrile 50g (0.67mol), 200ml methanol sequentially and cooled to 0℃. Dissolve 1g of sodium methanol in 50ml of methanol and add it to the reaction vial dropwise. After dropwise addit

Safety DataBack Directory
[Symbol(GHS) ]


GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319
[Precautionary statements ]

P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
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