6'-Chloro-4'-(2-fluorophenyl)spiro(pyrrolidine-3,2'(1'H)-quinazolin)-5-one

Base Information

• Chemical Name: 6'-Chloro-4'-(2-fluorophenyl)spiro(pyrrolidine-3,2'(1'H)-quinazolin)-5-one
• CAS No.: 112634-58-9
• Molecular Formula: C17H13 Cl F N3 O
• Molecular Weight: 329.756
• DSSTox Substance ID: DTXSID00920855

Synonyms:BRN 5123580;112634-58-9;6'-Chloro-4'-(2-fluorophenyl)spiro(pyrrolidine-3,2'(1'H)-quinazolin)-5-one;Spiro(pyrrolidine-3,2'(1'H)quinazolin)-5-one, 6'-chloro-4'-(2-fluorophenyl)-;C17H13ClFN3O;DTXSID00920855;LS-146339;6'-Chloro-4'-(2-fluorophenyl)-2,4-dihydro-1'H-spiro[pyrrole-3,2'-quinazolin]-5-ol

Chemical Property of 6'-Chloro-4'-(2-fluorophenyl)spiro(pyrrolidine-3,2'(1'H)-quinazolin)-5-one

Chemical Property:

• Boiling Point: 561.9°Cat760mmHg
• Flash Point: 293.6°C
• Density: 1.49g/cm³
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 329.0731179
• Heavy Atom Count: 23
• Complexity: 528

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(=O)NCC12NC3=C(C=C(C=C3)Cl)C(=N2)C4=CC=CC=C4F

Technology Process of 6'-Chloro-4'-(2-fluorophenyl)spiro(pyrrolidine-3,2'(1'H)-quinazolin)-5-one

There total 1 articles about 6'-Chloro-4'-(2-fluorophenyl)spiro(pyrrolidine-3,2'(1'H)-quinazolin)-5-one 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: 63.0%

7-chloro-1,3-dihydro-5-(2-fluorophenyl)-2H-1,4-benzodiazepin-2-ylidene acetic acid methyl ester (59468-40-5) → 6'-chloro-4'-(2-fluorophenyl)spiro-5-one (112634-58-9)

Guidance literature:

With ammonium chloride; ammonia; In methanol; at 100 ℃; for 18h; in a steel bomb;

DOI:10.1002/jhet.5570240327

upstream raw materials:

7-chloro-1,3-dihydro-5-(2-fluorophenyl)-2H-1,4-benzodiazepin-2-ylidene acetic acid methyl ester

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