3-Nitro-1,8-naphthalic anhydride

• CAS: 3027-38-1
• Catalog Number: ACM3027381
• Category: Polymer/Macromolecule
• Molecular Weight: 243.17g/mol
• Molecular Formula: C12H5NO5
• Synonyms: 1H,3H-Naphtho(1,8-cd)pyran-1,3-dione, 5-nitro-;3h-naphtho(1,8-cd)pyran-1,3-dione,5-nitro-1;3-Nitronaphthalic anhydride;3-nitro-naphthalicanhydrid;5-Nitro-1H,3H-benzo[de]isochromene-1,3-dione;Naphthalic anhydride, 3-nitro-;3-NITRO-1,8-NAPHTHALIC ANHYDRIDE
• IUPAC Name: 7-nitro-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene-2,4-dione
• Canonical SMILES: C1=CC2=CC(=CC3=C2C(=C1)C(=O)OC3=O)[N+](=O)[O-]
• InChI: InChI=1S/C12H5NO5/c14-11-8-3-1-2-6-4-7(13(16)17)5-9(10(6)8)12(15)18-11/h1-5H
• InChI Key: FLFLZYYDLIKGJQ-UHFFFAOYSA-N
• Complexity: 415
• Covalently-Bonded Unit Count: 1
• EC Number: 629-274-5
• Exact Mass: 243.016772g/mol
• Formal Charge: 0
• H-Bond Acceptor: 5
• H-Bond Donor: 0
• Heavy Atom Count: 18
• Monoisotopic Mass: 243.016772g/mol
• NSC Number: 32326
• Rotatable Bond Count: 0
• XLogP3: 2.4

Synthetic Use

Upstream Synthesis Route 1

• 81-84-5

• 3027-38-1

Reference: [1]Current Patent Assignee: YANGTZE UNIVERSITY - CN110041203, 2019, A
Location in patent: Paragraph 0058-0060

Downstream Synthesis Route 1

• 3027-38-1

• 23204-36-6

Reference: [1] Journal of Photochemistry and Photobiology A: Chemistry, 2015, vol. 303-304, p. 28 - 35
[2] Patent: JP2018/39777, 2018, A,

Downstream Synthesis Route 2

• 3027-38-1

• 66266-36-2

Reference: [1]Quintana, Mireia; Bilbao, Ana; Comas-Barceló, Júlia; Bujons, Jordi; Triola, Gemma
[European Journal of Medicinal Chemistry, 2019, vol. 178, p. 648 - 666]

Downstream Synthesis Route 3

• 6789-94-2
• 3027-38-1

• 69408-76-0

Reference: [1]European Journal of Medicinal Chemistry,1981,vol. 16,p. 207 - 212

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