Product Number: 4815309
CAS Registry Number: 4815-30-9
Name:
2,4-Thiophenedicarboxylic acid, 5-amino-3-methyl-, 2,4-diethyl ester
2,4-Thiophenedicarboxylic acid, 5-amino-3-methyl-, diethyl ester (7CI,8CI,9CI); 2-Amino-3,5-bis(ethoxycarbonyl)-4-methylthiophene; 2-Amino-3,5-dicarbethoxy-4-methylthiophene; 5-Amino-3-methyl-2,4-thiophenedicarboxylic acid diethyl ester; Diethyl 2-amino-4-methylthiophene-3,5-dicarboxylate; Diethyl 5-amino-3-methylthiophene-2,4-dicarboxylate; NSC 149763
Chemical Formula: C11H15NO4S
Exact Mass: 257.07
Molecular Weight: 257.31
m/z: 257.07 (100.0%), 258.08 (12.2%), 259.07 (4.7%), 259.08 (1.5%), 258.07 (1.2%)
Elemental Analysis: C, 51.35; H, 5.88; N, 5.44; O, 24.87; S, 12.46
InChI: InChI=1S/C11H15NO4S/c1-4-15-10(13)7-6(3)8(17-9(7)12)11(14)16-5-2/h4-5,12H2,1-3H3
InChIKey: DGVXLHAJVRRLGV-UHFFFAOYSA-N
Canonical SMILES : CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)N
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Thermal Properties |
Value |
Condition |
Note |
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Melting Point |
113-115 °C |
Solv: ethanol (64-17-5) |
(10)CAS |
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Melting Point |
110-112 °C |
Solv: ethanol (64-17-5) |
(8)CAS |
|
Melting Point |
108-110 °C |
Solv: ethanol (64-17-5) |
(7)CAS |
|
Melting Point |
108-109 °C |
|
(11)CAS |
|
Melting Point |
108 °C |
|
(12)CAS |
|
Melting Point |
107-109 °C |
Solv: ethanol (64-17-5) |
(6)CAS |
|
Melting Point |
107-108 °C |
|
(13)CAS |
|
Melting Point |
107-108 °C |
Solv: benzene (71-43-2) |
(14)CAS |
|
Melting Point |
106-107 °C |
|
(15)CAS |
|
Melting Point |
103-105 °C |
|
(16)CAS |
|
Melting Point |
See full text |
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(17)CAS |
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(1) BIORAD: Copyright Bio-Rad Laboratories. All Rights Reserved.
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(2) WSS: Spectral data were obtained from Wiley Subscription Services, Inc. (US)
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(3) Zhang, Qian; Zeitschrift fuer Kristallographie - New Crystal Structures 2010, V225(2), P283-284 CAPLUS
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(4) AIST: Integrated Spectral Database System of Organic Compounds. (Data were obtained from the National Institute of Advanced Industrial Science and Technology (Japan))
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(5) 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.
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(6) Hafez, H. N.; Bioorganic & Medicinal Chemistry Letters 2008, V18(19), P5222-5227 CAPLUS
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(7) Hegde, Vinayak S.; Journal of Sulfur Chemistry 2006, V27(4), P307-314 CAPLUS
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(8) Mobinikhaledi, A.; Asian Journal of Chemistry 2010, V22(9), P7399-7404 CAPLUS
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(9) Huang, Wei; Synthetic Communications 2005, V35(10), P1351-1357 CAPLUS
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(10) Jiao, Yuan Hong; Acta Crystallographica, Section E: Structure Reports Online 2007, V63(11), Po4466, So4466/1-So4466/8 CAPLUS
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(11) Gewald, Karl; Chemische Berichte 1966, V99(1), P94-100 CAPLUS
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(12) Sridhar, Madabhushi; Tetrahedron Letters 2007, V48(18), P3171-3172 CAPLUS
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(13) Shvedov, V. I.; Zhurnal Organicheskoi Khimii 1965, V1(12), P2228-31 CAPLUS
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(14) Kathiravan, M. K.; Synthetic Communications 2007, V37(23), P4273-4279 CAPLUS
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(15) Hu, Yi; Heterocycles 2006, V68(2), P375-380 CAPLUS
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(16) Hussein, H. A. R.; Phosphorus, Sulfur and Silicon and the Related Elements 2007, V182(9), P2069-2085 CAPLUS
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(17) Hu, Yi; Synthetic Communications 2004, V34(20), P3801-3806 CAPLUS
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