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CAS Number: 37687-24-4
diethyl 1H-pyrazole-3,5-dicarboxylate

Structure

diethyl 1H-pyrazole-3,5-dicarboxylate
Name: diethyl 1H-pyrazole-3,5-dicarboxylate
Synonyms:
General Information
Product Number: 37687244
CAS Registry Number: 37687-24-4
Name:
        1H-​Pyrazole-​3,​5-​dicarboxylic acid, 3,​5-​diethyl ester
        1H-​Pyrazole-​3,​5-​dicarboxylic acid, diethyl ester (9CI); 3,​5-​(Diethoxycarbonyl)​-​1H-​pyrazole; 3,​5-​Pyrazoledicarboxylic acid diethyl ester; Diethyl 1H-​pyrazole-​3,​5-​dicarboxylate; Diethyl pyrazole-​3,​5-​dicarboxylate; NSC 97126 
 
Chemical Formula: C9H12N2O4
Exact Mass: 212.08
Molecular Weight: 212.20
m/z: 212.08 (100.0%), 213.08 (10.6%)
Elemental Analysis: C, 50.94; H, 5.70; N, 13.20; O, 30.16
 
InChI: InChI=1S/C9H12N2O4/c1-3-14-8(12)6-5-7(11-10-6)9(13)15-4-2/h5H,3-4H2,1-2H3,(H,10,11)
InChIKey: MBWXLICVQZUJOW-UHFFFAOYSA-N
Canonical SMILES : CCOC(=O)C1=CC(=NN1)C(=O)OCC
   
Thermal Properties Value Condition Note
Melting Point 54-55 °C Solv: hexane (110-54-3) (4)CAS
Melting Point 54 °C   (5)CAS
Melting Point See full text   (2)CAS

Specification

98%

References
  1. (1) WSS: Spectral data were obtained from Wiley Subscription Services, Inc. (US)
  2. (2) Reviriego, Felipe; Organic & Biomolecular Chemistry 2009, V7(16), P3212-3214 CAPLUS
  3. (3) Krishna, Palakodety Radha; Tetrahedron Letters 2008, V49(48), P6768-6772 CAPLUS
  4. (4) Reviriego, Felipe; Journal of the American Chemical Society 2006, V128(51), P16458-16459 CAPLUS
  5. (5) Vuluga, Daniela; Green Chemistry 2009, V11(2), P156-159 CAPLUS
  6. (6) Yin, Caixia; Acta Crystallographica, Section E: Structure Reports Online 2004, V60(3), Po320-o321 CAPLUS
  7. (7) Udaya Sri, N.; Journal of Molecular Structure 2012, V1019, P68-79 CAPLUS
  8. (8) Cheung, Kwai Ming J.; Tetrahedron Letters 2010, V51(45), P5915-5918 CAPLUS
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