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133655

4′-Chloroacetoacetanilide

98%

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About This Item

Linear Formula:
CH3COCH2CONHC6H4Cl
CAS Number:
101-92-8
Molecular Weight:
211.64
NACRES:
NA.22
PubChem Substance ID:
24848116
UNSPSC Code:
12352100
EC Number:
202-989-6
MDL number:
MFCD00000613
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assay

98%

form

powder

mp

131-134 °C (lit.)

solubility

acetone: soluble 25 mg/mL, clear, colorless to light yellow

SMILES string

CC(=O)CC(=O)Nc1ccc(Cl)cc1

InChI

1S/C10H10ClNO2/c1-7(13)6-10(14)12-9-4-2-8(11)3-5-9/h2-5H,6H2,1H3,(H,12,14)

InChI key

JMRJWEJJUKUBEA-UHFFFAOYSA-N

General description

4′-Chloroacetoacetanilide was trilithiated with lithium diisopropylamide and condensed with several aromatic esters, followed by neutralization, separate acid cyclization and rearrangements to yield 4-anilino-6-aryl-2H-pyran-2-ones. It undergoes three-component reaction with a mixture of aromatic aldehyde and 5-aminotetrazole to form N,7-diaryl-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide.

Application

4′-Chloroacetoacetanilide was used in recombinant androgen receptor competitive binding assay for analysis of natural, synthetic and environmental chemicals.

Storage Class

13 - Non Combustible Solids

wgk

WGK 1

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

Eyeshields, Gloves, type N95 (US)

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