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Structure

6-METHYL-2H-1,4-BENZOXAZIN-3(4H)-ONE

CAS
39522-26-4
Catalog Number
ACM39522264
Category
Other Products
Molecular Weight
163.17
Molecular Formula
C9H9NO2

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Specification

Synonyms
475467_ALDRICH, ZINC03883825, CID2763839, 6-Methyl-2H-1,4-benzoxazin-3(4H)-one, 6-Methyl-2H-1,4-benzoxazine-3(4H)-one, EU-0063551, 2H-1,4-Benzoxazine-3(4H)-one, 6-methyl-, 3W-0266, 39522-26-4
IUPAC Name
6-methyl-4H-1,4-benzoxazin-3-one
Canonical SMILES
CC1=CC2=C(C=C1)OCC(=O)N2
InChI Key
JSBZPNRRLJLZBE-UHFFFAOYSA-N
Boiling Point
340.8ºC at 760mmHg
Melting Point
207-209ºC(lit.)
Flash Point
159.9ºC
Density
1.198g/cm³
Exact Mass
163.06300
Hazard Statements
Xi: Irritant;
H-Bond Acceptor
2
H-Bond Donor
1
Safety Description
26-36

Upstream Synthesis Route 1

  • 134997-67-4
  • 39522-26-4

Reference: [1]Pusceddu; Sauna
[Gazzetta Chimica Italiana, 1931, vol. 61, p. 158,165]
[2]Pusceddu; Sauna
[Gazzetta Chimica Italiana, 1931, vol. 61, p. 158,165]

Upstream Synthesis Route 2

  • 861296-09-5
  • 39522-26-4

Reference: [1]Minton; Stephen
[Journal of the Chemical Society, 1922, vol. 121, p. 1603]

Downstream Synthesis Route 1

  • 39522-26-4
  • 22178-90-1

Reference: [1]Current Patent Assignee: GLADSTONE INSTITUTES; NANOSYN - WO2015/106025, 2015, A1
[2]Current Patent Assignee: GLADSTONE INSTITUTES; NANOSYN - US2016/326123, 2016, A1

* For details of the synthesis route, please refer to the original source to ensure accuracy.

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