8-Bromo-4-chloroquinazoline

Base Information

• Chemical Name: 8-Bromo-4-chloroquinazoline
• CAS No.: 125096-72-2
• Molecular Formula: C₈H₄BrClN₂
• Molecular Weight: 243.49
• Hs Code.: 2933990090
• European Community (EC) Number: 830-441-1
• DSSTox Substance ID: DTXSID90559799
• Wikidata: Q72453513
• Mol file: 125096-72-2.mol

Synonyms:8-bromo-4-chloroquinazoline;125096-72-2;4-CHLORO-8-BROMOQUINAZOLINE;MFCD09738589;QUINAZOLINE, 8-BROMO-4-CHLORO-;8-bromo-4-chloro-quinazoline;SCHEMBL856304;DTXSID90559799;NVMDCMMESVPNHN-UHFFFAOYSA-N;BCP26709;CS-D0030;AKOS000147824;(4-NITROPHENYL)SULFONYL]ACETICACID;AC-29940;DS-10779;SY019484;AM20060871;EN300-42989;A15181;W-200981;Z316120010

Chemical Property of 8-Bromo-4-chloroquinazoline

Chemical Property:

• Refractive Index: 1.691
• Boiling Point: 339.695 °C at 760 mmHg
• PKA: -0.27±0.50(Predicted)
• Flash Point: 159.242 °C
• PSA: 25.78000
• Density: 1.763 g/cm³
• LogP: 3.04570
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 241.92464
• Heavy Atom Count: 12
• Complexity: 167

Purity/Quality:

98%,99%, ^*data from raw suppliers

8-BROMO-4-CHLOROQUINAZOLINE 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C(=C1)Br)N=CN=C2Cl

Technology Process of 8-Bromo-4-chloroquinazoline

There total 3 articles about 8-Bromo-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: 97.6%

C8H5BrN2O → 8-bromo-4-chloroquinazoline (125096-72-2)

Guidance literature:

With thionyl chloride; In N,N-dimethyl-formamide; at 80 ℃; for 25h;

Reference yield: 97.0%

C8H5BrN2O (77150-35-7) → 8-bromo-4-chloroquinazoline (125096-72-2)

Guidance literature:

With thionyl chloride; In N,N-dimethyl-formamide; at 80 ℃; for 25h;

DOI:10.1016/j.ejmech.2021.113998

Reference yield:

2-amino-3-bromo benzoic acid (20776-51-6) → 8-bromo-4-chloroquinazoline (125096-72-2)

Guidance literature:

Multi-step reaction with 2 steps

1: Reflux

2: trichlorophosphate / Reflux

With trichlorophosphate;

DOI:10.1021/acsmedchemlett.9b00194

upstream raw materials:

2-amino-3-bromo benzoic acid

C₈H₅BrN₂O

Refernces

• 1、 -. "Benzoaromatic heterocyclic compound and application thereof". . . Retrieved 2021/06/22.