Product Number: 7625016
CAS Registry Number: 7625-01-6
Name:
4H-1,4-Benzothiazine-2-carboxylic acid, 3-methyl-, ethyl ester
2-(Ethoxycarbonyl)-3-methyl-4H-1,4-benzothiazine; Ethyl 3-methyl-(4H)-1,4-benzothiazine-2-carboxylate; NSC 622343
Chemical Formula: C12H13NO2S
Exact Mass: 235.07
Molecular Weight: 235.30
m/z: 235.07 (100.0%), 236.07 (14.0%), 237.06 (4.5%), 237.07 (1.3%)
Elemental Analysis: C, 61.25; H, 5.57; N, 5.95; O, 13.60; S, 13.63
InChI: InChI=1S/C12H13NO2S/c1-3-15-12(14)11-8(2)13-9-6-4-5-7-10(9)16-11/h4-7,13H,3H2,1-2H3
InChIKey: NCZIRXVLKKERGP-UHFFFAOYSA-N
Canonical SMILES : CCOC(=O)C1=C(NC2=CC=CC=C2S1)C
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Thermal Properties |
Value |
Condition |
Note |
|
Melting Point |
147 °C |
|
(8)IC |
|
Melting Point |
146-147 °C |
Solv: ethanol (64-17-5) |
(9)IC |
|
Melting Point |
144-145 °C |
|
(10)CAS |
|
Melting Point |
144-145 °C |
|
(11)CAS |
|
Melting Point |
144-145 °C |
Solv: methanol (67-56-1) |
(12)IC |
|
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(1) BIORAD: Copyright Bio-Rad Laboratories. All Rights Reserved.
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(2) Sheibani, Hassan; ARKIVOC (Gainesville, FL, United States) 2006, (15), P175-180 CAPLUS
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(3) Sheibani, Hassan; ARKIVOC (Gainesville, FL, United States) 2006, (15), P175-180 CAPLUS
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(4) Attanasi, Orazio A.; Tetrahedron 2008, V64(39), P9264-9274 CAPLUS
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(5) Sheibani, Hassan; ARKIVOC (Gainesville, FL, United States) 2006, (15), P68-75 CAPLUS
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(6) Sheibani, Hassan; Phosphorus, Sulfur and Silicon and the Related Elements 2008, V183(1), P13-20 CAPLUS
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(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.
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(8) Liso, Gaetano; Synthesis 1983, (9), P755-7 CAPLUS
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(9) Marchini, Paolo; Phosphorus and Sulfur and the Related Elements 1977, V3(3), P309-14 CAPLUS
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(10) Maki, Yoshifumi; Chemical & Pharmaceutical Bulletin 1966, V14(7), P770-2 CAPLUS
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(11) Dandia, Anshu; Journal of Chemical Research 2006, (7), P445-448 CAPLUS
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(12) Miyano, Seiji; Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999) 1976, (10), P1146-9 CAPLUS
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(13) More, D. H.; Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry 2011, V50B(5), P745-747 CAPLUS
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![ethyl 3-methyl-4H-benzo[b][1,4]thiazine-2-carboxylate](/Public/Uploads/53a55831ea846(1).gif)