Product Number: 3284513
CAS Registry Number:
3284-51-3
Name：
1H-Pyrrole-2-carboxylic acid, 5-methyl-, ethyl ester
Pyrrole-2-carboxylic acid, 5-methyl-, ethyl ester (6CI,7CI,8CI); 5-Methyl-1H-pyrrole-2-carboxylic acid ethyl ester; Ethyl 5-methylpyrrole-2-carboxylate; NSC 81362
Chemical Formula: C8H11NO2
Exact Mass: 153.08
Molecular Weight: 153.18
m/z: 153.08 (100.0%), 154.08 (9.1%)
Elemental Analysis: C, 62.73; H, 7.24; N, 9.14; O, 20.89
InChI: InChI=1S/C8H11NO2/c1-3-11-8(10)7-5-4-6(2)9-7/h4-5,9H,3H2,1-2H3
InChIKey: RIUNZXNCMZMRMP-UHFFFAOYSA-N
Canonical SMILES : CCOC(=O)C1=CC=C(N1)C
|
Thermal Properties |
Value |
Condition |
Note |
|
Melting Point |
100 °C |
|
(9)CAS |
|
Melting Point |
100 °C |
|
(10)CAS |
|
Melting Point |
100 °C |
Solv: methanol (67-56-1) |
(11)CAS |
|
Melting Point |
100 °C |
Solv: methanol (67-56-1) |
(12)CAS |
|
Melting Point |
99.0-101.1 °C |
Solv: ethanol (64-17-5) |
(13)CAS |
|
Melting Point |
97-99 °C |
Solv: ethanol (64-17-5); water (7732-18-5) |
(14)IC |
|
Melting Point |
95-96 °C |
|
(8)IC |
|
-
(1) ACD: Spectral data were obtained from Advanced Chemistry Development, Inc.
-
(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) Lash, Timothy D.; Journal of Heterocyclic Chemistry 1991, V28(7), P1671-6 CAPLUS
-
(5) Tsutsui, Hironori; Bulletin of the Chemical Society of Japan 2002, V75(7), P1451-1460 CAPLUS
-
(6) Zhang, Zhao Po; Acta Crystallographica, Section E: Structure Reports Online 2011, V67(7), Po1585 CAPLUS
-
(7) 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.
-
(8) Gombos, Zsuzsanna; Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999) 1989, (11), P1915-21 CAPLUS
-
(9) Fischer, H.; Berichte der Deutschen Chemischen Gesellschaft [Abteilung] B: Abhandlungen 1928, V61B, P1074-83 CAPLUS
-
(10) Fischer, Hans; Hoppe-Seyler's Zeitschrift fuer Physiologische Chemie 1944, V280, P123-6 CAPLUS
-
(11) Fischer, Hans; Hoppe-Seyler's Zeitschrift fuer Physiologische Chemie 1948, V283, P152-61 CAPLUS
-
(12) Treibs, Alfred; Justus Liebigs Annalen der Chemie 1958, V615, P137-64 CAPLUS
-
(13) Castro, A. J.; Journal of Organic Chemistry 1963, V28, P857-60 CAPLUS
-
(14) Elder, Todd; Synthetic Communications 1989, V19(5-6), P763-7 CAPLUS
|
.gif)