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CAS Number: 42399-49-5
3-hydroxy-2,3-dihydrobenzo[b][1,4]thiazepin-4(5H)-one

Structure

 3-hydroxy-2,3-dihydrobenzo[b][1,4]thiazepin-4(5H)-one
Name: 3-hydroxy-2,3-dihydrobenzo[b][1,4]thiazepin-4(5H)-one
Synonyms:
General Information
Product Number: 42399495

CAS Registry Number 42399-49-5
Name:
1,?5-?Benzothiazepin-?4(5H)?-?one, 2,?3-?dihydro-?3-?hydroxy-?2-?(4-?methoxyphenyl)?-?, (2S,?3S)?-
1,5-Benzothiazepin-4(5H)-one, 2,3-dihydro-3-hydroxy-2-(4-methoxyphenyl)-, (2S-cis)-
(2S,3S)-3-Hydroxy-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one

 

Chemical Formula: C9H9NO2S
Exact Mass: 195.04
Molecular Weight: 195.24
m/z: 195.04 (100.0%), 196.04 (9.9%), 197.03 (4.5%), 196.03 (1.2%)

 

InChI:InChI=1S/C16H15NO3S/c1-20-11-8-6-10(7-9-11)15-14(18)16(19)17-12-4-2-3-5-13(12)21-15/h2-9,14-15,18H,1H3,(H,17,19)/t14-,15+/m1/s1

InChI Key:LHBHZALHFIQJGJ-CABCVRRESA-N

Canonical SMILES:COC1=CC=C(C=C1)C2C(C(=O)NC3=CC=CC=C3S2)O

Specification

98%
References
  1. (2) Jain, Renuka; Synthetic Communications 2011, V41(13), P1889-1900 CAPLUS
  2. (3) Kojic-Prodic, Biserka; Helvetica Chimica Acta 1984, V67(3), P916-26 CAPLUS
  3. (4) Mishra, Mithilesh Kumar; Tetrahedron: Asymmetry 2009, V20(24), P2854-2860 CAPLUS
  4. (6) Belusa, Jindrich; CS 274214 B1 1992 CAPLUS
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