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Structure

6-Bromo-3,4-dihydro-2H-benzo[b][1,4]oxazine

CAS
105655-01-4
Catalog Number
ACM105655014
Category
Bromine Series
Molecular Weight
250.52
Molecular Formula
C8H9BrClNO

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Specification

Synonyms
6-Bromo-3,4-dihydro-2H-benzo[b][1,4]oxazine;6-Bromo-3,4-dihydro-2H-benzo[1,4]oxazine hydrochloride;6-Bromo-3,4-dihydro-2H-1,4-benzoxazine
IUPAC Name
6-bromo-3,4-dihydro-2H-1,4-benzoxazine
Canonical SMILES
C1COC2=C(N1)C=C(C=C2)Br
InChI Key
RWKBNMSHIJBNAO-UHFFFAOYSA-N
Boiling Point
296.364ºC at 760 mmHg
Flash Point
133.036ºC
Density
1.534 g/cm³
Exact Mass
212.97900
H-Bond Acceptor
2
H-Bond Donor
1

Upstream Synthesis Route 1

  • 24036-52-0
  • 105655-01-4

Reference: [1] Patent: WO2008/44022, 2008, A1, . Location in patent: Page/Page column 29

Upstream Synthesis Route 2

  • 1235451-65-6
  • 105655-01-4

Reference: [1] Patent: WO2011/130628, 2011, A1, . Location in patent: Page/Page column 227

Upstream Synthesis Route 3

  • 40925-68-6
  • 106-93-4
  • 105655-01-4

Reference: [1] Heterocyclic Communications, 2012, vol. 18, # 3, p. 143 - 146
[2] Patent: WO2018/183633, 2018, A1, . Location in patent: Paragraph 0006; 0008; 0017;0106; 0107

Upstream Synthesis Route 4

  • 188947-78-6
  • 105655-01-4

Reference: [1]Journal of Medicinal Chemistry,1997,vol. 40,p. 1465 - 1474

Upstream Synthesis Route 5

  • 24036-52-0
  • 105655-01-4

Reference: [1]Patent: WO2008/44022,2008,A1 .Location in patent: Page/Page column 29

Downstream Synthesis Route 1

  • 50-00-0
  • 105655-01-4
  • 188947-79-7

Reference: [1]Journal of Medicinal Chemistry,1997,vol. 40,p. 1465 - 1474
[2]Patent: US2019/47960,2019,A1 .Location in patent: Paragraph 0644; 0645; 0646; 0647
[3]Patent: US2019/47961,2019,A1 .Location in patent: Paragraph 0643-0644

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

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