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5-Methoxy-1H-benzotriazole

CAS
27799-91-3
Catalog Number
ACM27799913
Category
Other Products
Molecular Weight
149.15
Molecular Formula
C7H7N3O
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Specification

Synonyms
1H-BENZOTRIAZOLE, 5-METHOXY-;5-methoxy-1H-benzotriazole;6-Methoxy-1H-benzotriazole
IUPAC Name
5-methoxy-2H-benzotriazole
Canonical SMILES
COC1=CC2=NNN=C2C=C1
InChI Key
SUPSFAUIWDRKKZ-UHFFFAOYSA-N
Boiling Point
317.2ºC at 760 mmHg
Flash Point
116.3ºC
Density
1.327g/cm³
EC Number
248-663-7
Exact Mass
149.05900
H-Bond Acceptor
3
H-Bond Donor
1

Upstream Synthesis Route 1

  • 106658-14-4

Reference: [1] Patent: US2010/125089, 2010, A1, . Location in patent: Page/Page column 49

Upstream Synthesis Route 2

Reference: [1] European Journal of Medicinal Chemistry, 2010, vol. 45, # 6, p. 2214 - 2222
[2] Journal of the American Chemical Society, 1953, vol. 75, p. 715,717

Upstream Synthesis Route 3

Reference: [1] Organic and Biomolecular Chemistry, 2014, vol. 12, # 2, p. 251 - 254

Upstream Synthesis Route 4

  • 33608-25-2

Reference: [1]Zhurnal Obshchei Khimii,1948,vol. 18,p. 1699,1701
Chem.Abstr.,1949,p. 2618

Downstream Synthesis Route 1

  • 54013-40-0

Reference: [1]Journal of the American Chemical Society,1953,vol. 75,p. 715,717

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

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