2-(4-Bromophenyl)-4-chloroquinazoline

Base Information

• Chemical Name: 2-(4-Bromophenyl)-4-chloroquinazoline
• CAS No.: 83800-98-0
• Molecular Formula: C14H8 Br Cl N2
• Molecular Weight: 319.588
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID00358472
• Nikkaji Number: J2.571.690F
• Wikidata: Q82139069
• Mol file: 83800-98-0.mol

Synonyms:2-(4-bromophenyl)-4-chloroquinazoline;83800-98-0;2-(4-BROMO-PHENYL)-4-CHLORO-QUINAZOLINE;2-(4-bromophenyl)-4-chloro-quinazoline;SCHEMBL5793174;DTXSID00358472;MFCD01647442;AB09634;AT17385;4-(4-Chloro-2-quinazolinyl)phenyl bromide;CS-0341152;A840655;EN300-18582264;3-N-BOC-AMINO-3-(4-CBZ)PIPERIDINE-PROPIONICACID;Z3243653062

Chemical Property of 2-(4-Bromophenyl)-4-chloroquinazoline

Chemical Property:

• PSA: 25.78000
• LogP: 4.71270
• XLogP3: 5.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 317.95594
• Heavy Atom Count: 18
• Complexity: 281

Purity/Quality:

97% ^*data from raw suppliers

2-(4-Bromo-phenyl)-4-chloro-quinazoline 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(=NC(=N2)C3=CC=C(C=C3)Br)Cl

Technology Process of 2-(4-Bromophenyl)-4-chloroquinazoline

There total 3 articles about 2-(4-Bromophenyl)-4-chloroquinazoline 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: 100.0%

2-(4-bromophenyl)-3H-quinazolin-4-one (83800-88-8) → 2-(4-bromophenyl)-4-chloroquinazoline (83800-98-0)

Guidance literature:

With thionyl chloride; N,N-dimethyl-formamide; In chloroform; for 17h; Heating / reflux;

Reference yield:

4-bromo-benzaldehyde (1122-91-4) → 2-(4-bromophenyl)-4-chloroquinazoline (83800-98-0)

Guidance literature:

Multi-step reaction with 2 steps

1: dimethyl sulfoxide / 110 °C

2: thionyl chloride; N,N-dimethyl-formamide / Reflux

With thionyl chloride; N,N-dimethyl-formamide; In dimethyl sulfoxide;

DOI:10.1021/acs.jafc.9b04733

Reference yield:

anthranilic acid amide (28144-70-9,88-68-6) → 2-(4-bromophenyl)-4-chloroquinazoline (83800-98-0)

Guidance literature:

Multi-step reaction with 2 steps

1: dimethyl sulfoxide / 110 °C

2: thionyl chloride; N,N-dimethyl-formamide / Reflux

With thionyl chloride; N,N-dimethyl-formamide; In dimethyl sulfoxide;

DOI:10.1021/acs.jafc.9b04733

upstream raw materials:

2-(4-bromophenyl)-3H-quinazolin-4-one

4-bromo-benzaldehyde

anthranilic acid amide

Downstream raw materials:

ethyl N-[2-(4-bromophenyl)quinazolin-4-yl]-beta-alaninate