7-Bromoquinazoline

Base Information

• Chemical Name: 7-Bromoquinazoline
• CAS No.: 89892-22-8
• Molecular Formula: C8H5 Br N2
• Molecular Weight: 209.045
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID30458338
• Wikidata: Q72512405
• Mol file: 89892-22-8.mol

Synonyms:7-bromoquinazoline;89892-22-8;7-Bromo-quinazoline;Quinazoline, 7-bromo-;MFCD07778500;7-bromoquinazoline, AldrichCPR;SCHEMBL1426869;DTXSID30458338;KMVULHBAEVRKCP-UHFFFAOYSA-N;AKOS015835910;CS-W008870;FS-3767;PB23522;AC-23010;ACETICACIDTRANS-2-DECEN-1-YLESTER;SY096991;AM20050452;FT-0647328;EN300-111920;J-519175

Chemical Property of 7-Bromoquinazoline

Chemical Property:

• Boiling Point: 304.3±15.0 °C(Predicted)
• PKA: 3.60±0.70(Predicted)
• PSA: 25.78000
• Density: 1.656±0.06 g/cm3(Predicted)
• LogP: 2.39230
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 207.96361
• Heavy Atom Count: 11
• Complexity: 140

Purity/Quality:

99% ^*data from raw suppliers

7-Bromoquinazoline ^*data from reagent suppliers

Safty Information:

• Statements: 41
• Safety Statements: 26-39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=CN=CN=C2C=C1Br

Technology Process of 7-Bromoquinazoline

There total 2 articles about 7-Bromoquinazoline 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: 32.0%

quinazoline (253-82-7) → 6-bromoquinazoline (89892-22-8)

Guidance literature:

quinazoline; With N-Bromosuccinimide; sulfuric acid; at 20 ℃; for 16h;

With ammonia; water; at 0 ℃; for 1h; pH=7;

Reference yield:

→ 6-bromoquinazoline (89892-22-8)

Guidance literature:

2-Nitro--4brom-1-benzol, Zink-Pulver, wss. Eg.;

Reference yield: 80.0%

(1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride (72287-26-4,95464-05-4) + 6-bromoquinazoline (89892-22-8) → methyl quinazoline-7-carboxylate (1638763-25-3)

Guidance literature:

With sodium carbonate;

upstream raw materials:

quinazoline

Downstream raw materials:

methyl quinazoline-7-carboxylate

Refernces

• 1、 Brown,Gouliaev. "Bromination of isoquinoline, quinoline, quinazoline and quinoxaline in strong acid". . p. 83 - 86. Retrieved 2007/10/03.