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CAS Number: 39562-17-9
(E)-methyl 2-(3-nitrobenzylidene)-3-oxobutanoate

Structure

(E)-methyl 2-(3-nitrobenzylidene)-3-oxobutanoate
Name: (E)-methyl 2-(3-nitrobenzylidene)-3-oxobutanoate
Synonyms:
General Information
Product Number: 39562179

CAS Registry Number: 39562-17-9

Name:

Butanoic acid, 2-​[(3-​nitrophenyl)​methylene]​-​3-​oxo-​, methyl ester
(3-​Nitrobenzylidene)​acetoacetic acid methyl ester; Methyl 2-​(3-​nitrobenzylidene)​acetoacetate; Methyl 2-​(m-​nitrobenzylidene)​acetoacetate; Methyl 3-​nitrobenzylideneacet​oacetate; Methyl α-​acetyl-​β-​(m-​nitrophenyl)​acrylate 

 

Chemical Formula: C12H11NO5
Exact Mass: 249.06
Molecular Weight: 249.22
m/z: 249.06 (100.0%), 250.07 (13.3%), 251.07 (1.8%)
Elemental Analysis: C, 57.83; H, 4.45; N, 5.62; O, 32.10

 

Thermal Properties Value Condition Note
Melting Point 158 °C   (2)IC
Melting Point 151-154 °C   (3)CAS
Melting Point 145-146 °C   (4)IC
Melting Point 145-146 °C   (5)IC

Specification

  1. (1) Sanderson, Hans; Toxicology Letters 2009, V187(2), P84-93 CAPLUS
  2. (2) Meyer, H.; Arzneimittel-Forschung 1981, V31(3), P407-9 CAPLUS
  3. (3) Zhou, Kai; Medicinal Chemistry Research 2011, V20(8), P1325-1330 CAPLUS
  4. (4) Poindexter, Graham S.; DE 3512995 A1 1985 CAPLUS
  5. (5) Poindexter, Graham S.; EP 247345 A2 1987 CAPLUS
References
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