5-Methylisatoic anhydride

CAS

20877-81-0

Catalog Number

ACM20877810

Category

Other Products

Molecular Weight

177.16

Molecular Formula

C9H7NO3

MSDS COA Spec Sheet

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Specification

Synonyms

5-methyl-2H-3,1-benzoxazin-2,4(1H)-dione, 20877-81-0, 5-methyl-2H-3,1-benzoxazine-2,4(1H)-dione, 5-methyl-1H-benzo[d][1,3]oxazine-2,4-dione, 5-methyl-2,4-dihydro-1H-3,1-benzoxazine-2,4-dione, 6-methyl isatoic anhydride, 6-methyl-isatoic anhydride, SCHEMBL619937, 6-methylisatoic acid anhydride, KJBDXWPWJNDBOS-UHFFFAOYSA-N, MolPort-020-915-634, ZINC2569466, ZINC02569466, AKOS006271417, MCULE-3026263052, NE48035, 5-methyl-4H-3,1-benzoxazin-2,4-dione, SC-33943, SC-89970, 5-Methyl-1H-3,1-benzoxazine-2,4-dione

IUPAC Name

5-methyl-1H-3,1-benzoxazine-2,4-dione

Canonical SMILES

CC1=C2C(=CC=C1)NC(=O)OC2=O

InChI Key

KJBDXWPWJNDBOS-UHFFFAOYSA-N

Exact Mass

177.04300

H-Bond Acceptor

H-Bond Donor

Upstream Synthesis Route 1

75-44-5
4389-50-8

20877-81-0

Reference: [1]Kornberg, Brian E.; Nikam, Sham S.; Rafferty, Michael F.
[Journal of Heterocyclic Chemistry, 1999, vol. 36, # 5, p. 1271 - 1277]

Downstream Synthesis Route 1

118-29-6
20877-81-0
60-29-7

88-96-0

Reference: [1] Patent: US5985872, 1999, A,

Downstream Synthesis Route 2

20877-81-0
124-41-4

18595-13-6

Reference: [1] Tetrahedron, 2009, vol. 65, # 2, p. 563 - 578

Downstream Synthesis Route 3

20877-81-0

573692-58-7

Reference: [1] Bioorganic and Medicinal Chemistry Letters, 2007, vol. 17, # 10, p. 2817 - 2822

Downstream Synthesis Route 4

20877-81-0
147-85-3

78756-21-5

Reference: [1]Schultz; McCloskey; Court
[Journal of the American Chemical Society, 1987, vol. 109, # 21, p. 6493 - 6502]

Downstream Synthesis Route 5

20877-81-0

185689-39-8

Reference: [1]Abood, Norman A.; Schretzman, Lori A.; Flynn, Daniel L.; Houseman, Kathrine A.; Wittwer, Arthur J.; Dilworth, Vickie M.; Hippenmeyer, Paul J.; Holwerda, Barry C.
[Bioorganic and Medicinal Chemistry Letters, 1997, vol. 7, # 16, p. 2105 - 2108]
[2]Current Patent Assignee: PFIZER INC - US5985872, 1999, A

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

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