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Structure

Benzoxazole,6-methoxy-2-methyl-

CAS
23999-64-6
Catalog Number
ACM23999646
Category
Other Products
Molecular Weight
163.1733
Molecular Formula
C9H9 N O2

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Specification

Synonyms
6-Methoxy-2-methylbenzoxazole, MolPort-005-941-898, NSC142172, CID90329, EINECS 245-978-1, ZINC00394221, 23999-64-6
IUPAC Name
6-methoxy-2-methyl-1,3-benzoxazole
Canonical SMILES
CC1=NC2=C(O1)C=C(C=C2)OC
InChI Key
IMRVVUQHPUZLSC-UHFFFAOYSA-N
Boiling Point
250ºC at 760mmHg
Flash Point
105ºC
Density
1.166g/cm³
EC Number
245-978-1
Exact Mass
163.06300
H-Bond Acceptor
3
H-Bond Donor
0

Upstream Synthesis Route 1

  • 552-41-0
  • 51864-08-5
  • 23999-64-6

Reference: [1] Tetrahedron Letters, 2011, vol. 52, # 46, p. 6103 - 6107

Upstream Synthesis Route 2

  • 1021267-09-3
  • 23999-64-6

Reference: [1] Organic Letters, 2011, vol. 13, # 23, p. 6300 - 6303
[2] Tetrahedron, 2015, vol. 71, # 4, p. 700 - 708
[3] Patent: CN103951631, 2017, B, . Location in patent: Paragraph 0060; 0062; 0063

Upstream Synthesis Route 3

  • 552-41-0
  • 23999-64-6

Reference: [1] Journal of Organic Chemistry, 2015, vol. 80, # 17, p. 8657 - 8667

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