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CAS Number: 33422-35-4
ethyl 2-(3-oxopiperazin-2-yl)acetate

Structure

ethyl 2-(3-oxopiperazin-2-yl)acetate
Name: ethyl 2-(3-oxopiperazin-2-yl)acetate
Synonyms:
General Information
Product Number: 33422354
CAS Registry Number: 33422-35-4
Name:
        2-​Piperazineacetic acid, 3-​oxo-​, ethyl ester
        3-​Oxopiperazin-​2-​ylacetic acid ethyl ester; Ethyl 2-​(3-​oxopiperazin-​2-​yl)​acetate 
 
Chemical Formula: C8H14N2O3
Exact Mass: 186.10
Molecular Weight: 186.21
m/z: 186.10 (100.0%), 187.10 (9.5%)
Elemental Analysis: C, 51.60; H, 7.58; N, 15.04; O, 25.78
 
InChI: InChI=1S/C8H14N2O3/c1-2-13-7(11)5-6-8(12)10-4-3-9-6/h6,9H,2-5H2,1H3,(H,10,12)
InChIKey: HNYRNJAZRKCHSC-UHFFFAOYSA-N
Canonical SMILES : CCOC(=O)CC1C(=O)NCCN1
 
Thermal Properties Value Condition Note
Melting Point 109-110 °C   (2)CAS
Melting Point 109-110 °C Solv: ethyl acetate (141-78-6); hexane (110-54-3) (3)CAS
Melting Point 103-105 °C Solv: acetone (67-64-1) (4)IC
Melting Point 101.5-102.5 °C   (5)IC

Specification

98%

References
  1. (1) WSS: Spectral data were obtained from Wiley Subscription Services, Inc. (US)
  2. (2) Phillips, Arthur P.; US 2958693 1960 CAPLUS
  3. (3) Phillips, Arthur P.; DE 1135472 1962 CAPLUS
  4. (4) Dutta, Panna Lal; Journal of Pharmaceutical Sciences 1990, V79(5), P447-52 CAPLUS
  5. (5) Okawara, Tadashi; Heterocycles 1989, V29(8), P1601-5 CAPLUS
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