Product Number: 2386267
CAS Registry Number: 2386-26-7
Name:
1H-Pyrrole-2-carboxylic acid, 4-acetyl-3,5-dimethyl-, ethyl ester
Pyrrole-2-carboxylic acid, 4-acetyl-3,5-dimethyl-, ethyl ester (6CI,7CI,8CI); Ethyl-4-acetyl-3,5-dimethylpyrrole-2-carboxylate; NSC 10765
Chemical Formula: C11H15NO3
Exact Mass: 209.11
Molecular Weight: 209.24
m/z: 209.11 (100.0%), 210.11 (12.2%), 211.11 (1.3%)
Elemental Analysis: C, 63.14; H, 7.23; N, 6.69; O, 22.94
InChI: InChI=1S/C11H15NO3/c1-5-15-11(14)10-6(2)9(8(4)13)7(3)12-10/h12H,5H2,1-4H3
InChIKey: ALRDOFWBPAZOCW-UHFFFAOYSA-N
Canonical SMILES : CCOC(=O)C1=C(C(=C(N1)C)C(=O)C)C
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Thermal Properties |
Value |
Condition |
Note |
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Melting Point |
143-145 °C |
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(5)CAS |
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Melting Point |
143-144 °C |
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(9)IC |
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Melting Point |
143 °C |
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(10)CAS |
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Melting Point |
143 °C |
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(11)CAS |
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Melting Point |
143 °C |
Solv: methanol (67-56-1) |
(12)CAS |
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(1) BIORAD: Copyright Bio-Rad Laboratories. All Rights Reserved.
(2) Abraham, Raymond J.; Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999) 1974, (9), P1004-9 CAPLUS
(3) WSS: Spectral data were obtained from Wiley Subscription Services, Inc. (US)
(4) Guo, Jia-Liang; Letters in Drug Design & Discovery 2009, V6(2), P107-113 CAPLUS
(5) Beshara, Cory S.; Journal of Organic Chemistry 2005, V70(25), P10607-10610 CAPLUS
(6) Paixao, Jose Antonio; Acta Crystallographica, Section E: Structure Reports Online 2003, V59(1), Po94-o96 CAPLUS
(7) AIST: Integrated Spectral Database System of Organic Compounds. (Data were obtained from the National Institute of Advanced Industrial Science and Technology (Japan))
(8) BIORAD: Infrared spectral data from the Bio-Rad/Sadtler IR Data Collection was obtained from Bio-Rad Laboratories, Philadelphia, PA (US). Copyright © Bio-Rad Laboratories. All Rights Reserved.
(9) Moon, Malcolm W.; Journal of Organic Chemistry 1977, V42(13), P2219-23 CAPLUS
(10) Gray, C. H.; Journal of the Chemical Society 1961, P2276-85 CAPLUS
(11) Kazanskaya, L. V.; Zhurnal Obshchei Khimii 1968, V38(9), P2020-5 CAPLUS
(12) Fischer, Hans; Hoppe-Seyler's Zeitschrift fuer Physiologische Chemie 1948, V283, P152-61 CAPLUS
(13) Antina, E. V.; Russian Journal of General Chemistry 2010, V80(11), P2374-2381 CAPLUS
(14) Shrout, David P.; Synthesis 1990, (11), P1062-5 CAPLUS
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