Anisessine

Base Information

• Chemical Name: Anisessine
• CAS No.: 16688-20-3
• Molecular Formula: C₂₀H₁₉N₃O₃
• Molecular Weight: 349.389
• DSSTox Substance ID: DTXSID30331990
• Nikkaji Number: J15.454G
• Wikidata: Q27105791
• Metabolomics Workbench ID: 69491
• Mol file: 16688-20-3.mol

Synonyms:Anisessine;16688-20-3;ethyl 2-[(9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-3-yl)amino]benzoate;C10637;Anthranilic acid, N-(1,2,3,9-tetrahydro-9-oxopyrrolo[2,1-b]quinazolin-3-yl)-, ethyl ester;Benzoic acid, 2-[(1,2,3,9-tetrahydro-9-oxopyrrolo[2,1-b]quinazolin-3-yl)amino]-, ethyl ester;AC1L9DKQ;CHEBI:2734;DTXSID30331990;Q27105791;Ethyl 2-[(9-oxo-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-3-yl)amino]benzoate #

Chemical Property of Anisessine

Chemical Property:

• Vapor Pressure: 9.28E-12mmHg at 25°C
• Boiling Point: 540.8°C at 760 mmHg
• Flash Point: 280.8°C
• Density: 1.33g/cm³
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 349.14264148
• Heavy Atom Count: 26
• Complexity: 591

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=CC=CC=C1NC2CCN3C2=NC4=CC=CC=C4C3=O

Technology Process of Anisessine

There total 1 articles about Anisessine which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

→ 2-(9-oxo-1,2,3,9-tetrahydro-pyrrolo[2,1-b]quinazolin-3-ylamino)-benzoic acid ethyl ester (16688-20-3)

Guidance literature:

aus Bromid 1f u. dem entspr. Amin;

DOI:10.1016/S0040-4039(01)97448-9