1H-Pyrido(1,2-a)quinazoline-2-carboxylic acid, 8-chloro-6-(2-fluorophenyl)-3-methoxy-1-oxo-, methyl ester

Base Information

• Chemical Name: 1H-Pyrido(1,2-a)quinazoline-2-carboxylic acid, 8-chloro-6-(2-fluorophenyl)-3-methoxy-1-oxo-, methyl ester
• CAS No.: 112634-67-0
• Molecular Formula: C₂₁H₁₄ClFN₂O₄
• Molecular Weight: 412.805
• DSSTox Substance ID: DTXSID90150129
• Wikidata: Q83016074
• Mol file: 112634-67-0.mol

Synonyms:BRN 5157143;1H-Pyrido(1,2-a)quinazoline-2-carboxylic acid, 8-chloro-6-(2-fluorophenyl)-3-methoxy-1-oxo-, methyl ester;112634-67-0;C21H14ClFN2O4;DTXSID90150129;C21-H14-Cl-F-N2-O4;LS-134224

Chemical Property of 1H-Pyrido(1,2-a)quinazoline-2-carboxylic acid, 8-chloro-6-(2-fluorophenyl)-3-methoxy-1-oxo-, methyl ester

Chemical Property:

• Vapor Pressure: 5.72E-14mmHg at 25°C
• Boiling Point: 591.6°Cat760mmHg
• Flash Point: 311.6°C
• Density: 1.42g/cm³
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 412.0626128
• Heavy Atom Count: 29
• Complexity: 809

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C(=O)N2C3=C(C=C(C=C3)Cl)C(=NC2=C1)C4=CC=CC=C4F)C(=O)OC

Technology Process of 1H-Pyrido(1,2-a)quinazoline-2-carboxylic acid, 8-chloro-6-(2-fluorophenyl)-3-methoxy-1-oxo-, methyl ester

There total 1 articles about 1H-Pyrido(1,2-a)quinazoline-2-carboxylic acid, 8-chloro-6-(2-fluorophenyl)-3-methoxy-1-oxo-, methyl ester 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: 64.0%

9-chloro-7-(2-fluorophenyl)-1,4,4a,5-tetrahydro-3-methoxy-1-oxopyrido<1,2-a><1,4>benzodiazepine-2-carboxylic acid methyl ester (112634-65-8) → 8-chloro-6-(2-fluorophenyl)-3-methoxy-1-oxo-1H-pyrido<1,2-a>quinazoline-2-carboxylic acid methyl ester (112634-67-0) + 9-chloro-7-(2-fluorophenyl)-1,5-dihydro-3-methoxy-1-oxopyrido<1,2-a><1,4>benzodiazepine-2-carboxylic acid methyl ester (112634-66-9)

Guidance literature:

With manganese(IV) oxide; In toluene; for 0.333333h; Heating;

DOI:10.1002/jhet.5570240327

upstream raw materials:

9-chloro-7-(2-fluorophenyl)-1,4,4a,5-tetrahydro-3-methoxy-1-oxopyrido<1,2-a><1,4>benzodiazepine-2-carboxylic acid methyl ester