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CAS Number: 7556-63-0
methyl 2-(3-oxo-3,4-dihydro-2H-benzo[b][1,4]thiazin-2-yl)acetate

Structure

methyl 2-(3-oxo-3,4-dihydro-2H-benzo[b][1,4]thiazin-2-yl)acetate
Name: methyl 2-(3-oxo-3,4-dihydro-2H-benzo[b][1,4]thiazin-2-yl)acetate
Synonyms:
General Information
Product Number: 7556630
CAS Registry Number: 7556-63-0
Name:
2H-​1,​4-​Benzothiazine-​2-​acetic acid, 3,​4-​dihydro-​3-​oxo-​, methyl ester
3,​4-​Dihydro-​2-​methoxycarbonylmethy​l-​3-​oxo-​2H-​1,​4-​benzothiazine 
 
Chemical Formula: C11H11NO3S
Exact Mass: 237.05
Molecular Weight: 237.27
m/z: 237.05 (100.0%), 238.05 (12.9%), 239.04 (4.5%), 239.05 (1.4%)
Elemental Analysis: C, 55.68; H, 4.67; N, 5.90; O, 20.23; S, 13.51
 
InChI: InChI=1S/C11H11NO3S/c1-15-10(13)6-9-11(14)12-7-4-2-3-5-8(7)16-9/h2-5,9H,6H2,1H3,(H,12,14)
InChIKey: ZAQAENJTGPJUEZ-UHFFFAOYSA-N
Canonical SMILES : COC(=O)CC1C(=O)NC2=CC=CC=C2S1
 
Thermal Properties Value Condition Note
Melting Point 138-140 °C   (4)CAS
Melting Point 138-140 °C   (3)CAS
Melting Point 138-140 °C   (5)CAS

Specification

98%

References
  1. (1) BIORAD: Copyright Bio-Rad Laboratories. All Rights Reserved.
  2. (2) 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.
  3. (3) Dabholkar, Vijay V.; Indian Journal of Heterocyclic Chemistry 2011, V20(4), P365-368 CAPLUS
  4. (4) Dabholkar, Vijay V.; Rasayan Journal of Chemistry 2010, V3(4), P655-659 CAPLUS
  5. (5) Dabholkar, Vijay V.; Indian Journal of Heterocyclic Chemistry 2011, V20(4), P359-364 CAPLUS
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