5-Bromo-4-chloroquinazoline

Base Information

• Chemical Name: 5-Bromo-4-chloroquinazoline
• CAS No.: 2148-38-1
• Molecular Formula: C8H4BrClN2
• Molecular Weight: 243.4878
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID50588580
• Wikidata: Q72517598
• Mol file: 2148-38-1.mol

Synonyms:5-Bromo-4-chloroquinazoline;2148-38-1;5-bromo-4-chloro-quinazoline;MFCD09739114;4-Chloro-5-bromoquinazoline;Quinazoline, 5-bromo-4-chloro-;SCHEMBL9267455;DTXSID50588580;SC3691;AKOS000146087;CS-W006630;AS-54654;SY033790;DB-066532;EN300-1301286;A815411;W-206636;Z316120006

Chemical Property of 5-Bromo-4-chloroquinazoline

Chemical Property:

• Vapor Pressure: 0.000178mmHg at 25°C
• Melting Point: 160-163 °C
• Refractive Index: 1.691
• Boiling Point: 339.7 °C at 760 mmHg
• PKA: 0.09±0.30(Predicted)
• Flash Point: 159.2 °C
• PSA: 25.78000
• Density: 1.762 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%min ^*data from raw suppliers

5-Bromo-4-chloro-quinazoline ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC2=C(C(=C1)Br)C(=NC=N2)Cl
• Uses: 5-Bromo-4-chloro-quinazoline is a useful synthetic intermediate.

Technology Process of 5-Bromo-4-chloroquinazoline

There total 1 articles about 5-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: 81.0%

5-bromoquinazolin-4(3H)-one (147006-47-1) → 5-bromo-4-chloroquinazoline (2148-38-1)

Guidance literature:

With Dimethyl-p-toluidine; trichlorophosphate; In chloroform; for 16h; Heating;

DOI:10.3987/COM-94-S(B)61

Reference yield:

5-bromo-4-chloroquinazoline (2148-38-1) → 3-bromo-2-(1H-imidazol-2-yl)aniline (147006-50-6)

Guidance literature:

Multi-step reaction with 3 steps

1: 98 percent / NaHCO₃ / tetrahydrofuran / 66 h / Ambient temperature

2: 53 percent / MnO₂ / benzene / 16 h / Heating

3: 100 percent / 6N aq. HCl / 6.5 h / 90 °C

With hydrogenchloride; manganese(IV) oxide; sodium hydrogencarbonate; In tetrahydrofuran; benzene;

DOI:10.3987/COM-94-S(B)61

Reference yield:

5-bromo-4-chloroquinazoline (2148-38-1) → Phosphoric acid 10-bromo-4H-1,3a,6-triaza-benzo[e]azulen-5-yl ester diphenyl ester

Guidance literature:

Multi-step reaction with 5 steps

1: 98 percent / NaHCO₃ / tetrahydrofuran / 66 h / Ambient temperature

2: 53 percent / MnO₂ / benzene / 16 h / Heating

3: 100 percent / 6N aq. HCl / 6.5 h / 90 °C

4: 62 percent / pyridine / diethyl ether / 0.67 h / 10 - 12 °C

5: 1.) NaH / 1.) DMF, -10 deg C, 1 h, 2.) DMF, -40 deg C, 30 min

With pyridine; hydrogenchloride; manganese(IV) oxide; sodium hydride; sodium hydrogencarbonate; In tetrahydrofuran; diethyl ether; benzene;

DOI:10.3987/COM-94-S(B)61

upstream raw materials:

5-bromoquinazolin-4(3H)-one

Downstream raw materials:

3-bromo-2-(1H-imidazol-2-yl)aniline

Refernces