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CAS Number: 39522-26-4
6-methyl-2H-benzo[b][1,4]oxazin-3(4H)-one

Structure

 6-methyl-2H-benzo[b][1,4]oxazin-3(4H)-one
Name: 6-methyl-2H-benzo[b][1,4]oxazin-3(4H)-one
Synonyms:
General Information
Product Number: 39522264

CAS Registry Number 39522-26-4
Name:
2H-?1,?4-?Benzoxazin-?3(4H)?-?one, 6-?methyl-
6-Methyl-2H-1,4-benzoxazin-3(4H)-one
6-Methyl-4H-benzo[1,4]oxazin-3-one

 

Chemical Formula: C9H9NO2
Exact Mass: 163.06
Molecular Weight: 163.17
m/z: 163.06 (100.0%), 164.07 (9.9%)

 

InChI:InChI=1S/C9H9NO2/c1-6-2-3-8-7(4-6)10-9(11)5-12-8/h2-4H,5H2,1H3,(H,10,11)

InChI Key:JSBZPNRRLJLZBE-UHFFFAOYSA-N

Canonical SMILES:CC1=CC2=C(C=C1)OCC(=O)N2

 

Thermal Properties Value Condition Note
Melting Point 209 °C   (6)IC
Melting Point 207-208 °C Solv: ethanol (64-17-5) (7)IC
Melting Point 205-207 °C   (3)CAS
Melting Point 205 °C   (8)CAS
Melting Point 202-204 °C Solv: chloroform (67-66-3); dichloromethane (75-09-2) (2)CAS

Specification

98%
References
  1. (2) Ramesh, Chintakunta; Tetrahedron 2011, V67(6), P1187-1192 CAPLUS
  2. (3) Chen, Dingben; Organic & Biomolecular Chemistry 2009, V7(19), P4067-4073 CAPLUS
  3. (6) Shridhar, D. R.; Organic Preparations and Procedures International 1982, V14(3), P195-7 CAPLUS
  4. (7) Huang, Xian; Synthesis 1984, (10), P851-2 CAPLUS
  5. (8) DE 557111 1931 CAPLUS
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