Product Number: 4792589
CAS Registry Number: 4792-58-9
Name:
1H-Indole-2-carboxylic acid, 5-methoxy-, ethyl ester
Indole-2-carboxylic acid, 5-methoxy-, ethyl ester (6CI,7CI,8CI); 2-Carbethoxy-5-methoxyindole; 2-Ethoxycarbonyl-5-methoxyindole; 5-Methoxy-2-carbethoxyindole; 5-Methoxyindole-2-carboxylic acid ethyl ester; Ethyl 5-methoxy-2,3-1H-indole-2-carboxylate; Ethyl 5-methoxyindole-2-carboxylate; NSC 30929
Chemical Formula: C12H13NO3
Exact Mass: 219.09
Molecular Weight: 219.24
m/z: 219.09 (100.0%), 220.09 (13.5%)
Elemental Analysis: C, 65.74; H, 5.98; N, 6.39; O, 21.89
InChI: InChI=1S/C12H13NO3/c1-3-16-12(14)11-7-8-6-9(15-2)4-5-10(8)13-11/h4-7,13H,3H2,1-2H3
InChIKey: NPIUAXNFAUGNHP-UHFFFAOYSA-N
Canonical SMILES : CCOC(=O)C1=CC2=C(N1)C=CC(=C2)OC
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Thermal Properties |
Value |
Condition |
Note |
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Melting Point |
158-160 °C |
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(7)IC |
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Melting Point |
156-159 °C |
Solv: ethyl acetate (141-78-6) |
(8)CAS |
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Melting Point |
156-157 °C |
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(4)CAS |
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Melting Point |
156 °C |
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(9)CAS |
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Melting Point |
156 °C |
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(10)CAS |
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(1) BIORAD: Copyright Bio-Rad Laboratories. All Rights Reserved.
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(2) WSS: Wolfgang Robien / University of Vienna (Spectral Data were obtained from Wiley Subscription Services, Inc. (US))
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(3) Pagire, Haushabhau S.; Tetrahedron 2013, V69(14), P3039-3044 CAPLUS
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(4) Koenig, Stefan G.; Tetrahedron Letters 2010, V51(50), P6549-6551 CAPLUS
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(5) 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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(6) 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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(7) Murakami, Yasuoki; Heterocycles 1984, V22(5), P1211-16 CAPLUS
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(8) Tsotinis, Andrew; Journal of Medicinal Chemistry 2007, V50(25), P6436-6440 CAPLUS
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(9) Blaikie, K. G.; Journal of the Chemical Society, Transactions 1924, V125, P296-335 CAPLUS
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(10) Amorosa, Michele; Gazz. chim. 1955, V85, P1445-8 CAPLUS
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(11) Ishii, Hisashi; Chemical & Pharmaceutical Bulletin 1974, V22(9), P1981-9 CAPLUS
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(12) Hughes, Gordon K.; Journal and Proceedings of the Royal Society of New South Wales 1938, V71, P475-85 CAPLUS
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(13) Kralt, T.; Recueil des Travaux Chimiques des Pays-Bas 1961, V80, P313-24 CAPLUS
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(14) WSS: Spectral data were obtained from Wiley Subscription Services, Inc. (US)
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