6-Bromo-2-(o-chlorostyryl)-3-(phenylamino)-4(3H)-quinazolinone

Base Information

• Chemical Name: 6-Bromo-2-(o-chlorostyryl)-3-(phenylamino)-4(3H)-quinazolinone
• CAS No.: 85226-52-4
• Molecular Formula: C₂₂H₁₅BrClN₃O
• Molecular Weight: 452.738
• Wikidata: Q76327417

Synonyms:BRN 5629017;4(3H)-Quinazolinone, 6-bromo-2-(o-chlorostyryl)-3-(phenylamino)-;6-Bromo-2-(o-chlorostyryl)-3-(phenylamino)-4(3H)-quinazolinone;4(3H)-Quinazolinone, 6-bromo-2-(2-(2-chlorophenyl)ethenyl)-3-(phenylamino)-;85226-52-4;C22H15BrClN3O;C22-H15-Br-Cl-N3-O;LS-140382

Chemical Property of 6-Bromo-2-(o-chlorostyryl)-3-(phenylamino)-4(3H)-quinazolinone

Chemical Property:

• Vapor Pressure: 4.14E-14mmHg at 25°C
• Boiling Point: 594.7°Cat760mmHg
• Flash Point: 313.4°C
• Density: 1.45g/cm³
• XLogP3: 6.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 451.00870
• Heavy Atom Count: 28
• Complexity: 619

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)NN2C(=NC3=C(C2=O)C=C(C=C3)Br)C=CC4=CC=CC=C4Cl
• Isomeric SMILES: C1=CC=C(C=C1)NN2C(=NC3=C(C2=O)C=C(C=C3)Br)/C=C/C4=CC=CC=C4Cl

Technology Process of 6-Bromo-2-(o-chlorostyryl)-3-(phenylamino)-4(3H)-quinazolinone

There total 3 articles about 6-Bromo-2-(o-chlorostyryl)-3-(phenylamino)-4(3H)-quinazolinone 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-methyl-6-bromo-4H-3,1-benzoxazine-4-one (19165-25-4) → 6-Bromo-2-[(E)-2-(2-chloro-phenyl)-vinyl]-3-phenylamino-3H-quinazolin-4-one (85226-52-4)

Guidance literature:

Multi-step reaction with 2 steps

1: 70 percent / benzene / 10 h / Heating

2: 4 h / 160 - 170 °C

In benzene;

Reference yield:

phenylhydrazine (100-63-0) → 6-Bromo-2-[(E)-2-(2-chloro-phenyl)-vinyl]-3-phenylamino-3H-quinazolin-4-one (85226-52-4)

Guidance literature:

Multi-step reaction with 2 steps

1: 70 percent / benzene / 10 h / Heating

2: 4 h / 160 - 170 °C

In benzene;

Reference yield:

2-chloro-benzaldehyde (89-98-5) + 3-anilino-2-methyl-6-bromoquinazolin-4-one (71822-98-5) → 6-Bromo-2-[(E)-2-(2-chloro-phenyl)-vinyl]-3-phenylamino-3H-quinazolin-4-one (85226-52-4)

Guidance literature:

at 160 - 170 ℃; for 4h;

upstream raw materials:

2-chloro-benzaldehyde

3-anilino-2-methyl-6-bromoquinazolin-4-one

2-methyl-6-bromo-4H-3,1-benzoxazine-4-one

phenylhydrazine

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