5-Methoxy-2-nitrobenzonitrile

• CAS: 38469-84-0
• Catalog Number: ACM38469840
• Category: Other Products
• Molecular Weight: 178.14
• Molecular Formula: C8H6N2O3
• Synonyms: 3-Cyano-4-nitroanisole, 2-Cyano-4-methoxynitrobenzene
• IUPAC Name: 5-methoxy-2-nitrobenzonitrile
• Canonical SMILES: COC1=CC(=C(C=C1)[N+](=O)[O-])C#N
• InChI Key: GCXTYFJQZDWUNU-UHFFFAOYSA-N
• Boiling Point: 352.2ºC at 760 mmHg
• Flash Point: 166.8ºC
• Density: 1.32g/cm³
• Exact Mass: 178.03800
• H-Bond Acceptor: 4
• H-Bond Donor: 0

Synthetic Use

Upstream Synthesis Route 1

• 41994-92-7

• 38469-84-0

Reference: [1] Patent: US2010/120741, 2010, A1, . Location in patent: Page/Page column 59

Upstream Synthesis Route 2

• 1882-69-5

• 38469-84-0

Reference: [1] Patent: WO2011/112731, 2011, A2, . Location in patent: Page/Page column 143

Upstream Synthesis Route 3

• 20357-24-8

• 38469-84-0

Reference: [1]Organic Preparations and Procedures International,2009,vol. 41,p. 423 - 427
[2]Chemistry - A European Journal,2004,vol. 10,p. 2487 - 2506
[3]Australian Journal of Chemistry,1972,vol. 25,p. 2621 - 2629

Downstream Synthesis Route 1

• 38469-84-0

• 1882-71-9

Reference: [1] Bulletin de la Societe Chimique de France, 1972, p. 2365,2372

Downstream Synthesis Route 2

• 38469-84-0

• 1882-71-9

Reference: [1]Bulletin de la Societe Chimique de France,1972,p. 2365,2372

Downstream Synthesis Route 3

• 38469-84-0

• 23842-82-2

Reference: [1]Patent: WO2009/5646,2009,A2 .Location in patent: Page/Page column 186

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