7-Bromo-2,3-dihydropyrrolo[2,1-B]quinazolin-9(1H)-one

Base Information

• Chemical Name: 7-Bromo-2,3-dihydropyrrolo[2,1-B]quinazolin-9(1H)-one
• CAS No.: 61938-65-6
• Molecular Formula: C₁₁H₉BrN₂O
• Molecular Weight: 265.109
• DSSTox Substance ID: DTXSID60357441
• Nikkaji Number: J502.824H
• Wikidata: Q82137339
• Mol file: 61938-65-6.mol

Synonyms:7-BROMO-2,3-DIHYDROPYRROLO[2,1-B]QUINAZOLIN-9(1H)-ONE;7-bromo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one;7-BROMO-2,3-DIHYDROPYRROLO(2,1-B)QUINAZOLIN-9(1H)-ONE;SCHEMBL17221319;DTXSID60357441;UJZLOVUMOQAAGK-UHFFFAOYSA-N;Pyrrolo[2,1-b]quinazolin-9(1H)-one, 7-bromo-2,3-dihydro-;STL564434;AKOS023808409;AB00575583;7-BROMO-1H,2H,3H,9H-PYRROLO[2,1-B]QUINAZOLIN-9-ONE

Chemical Property of 7-Bromo-2,3-dihydropyrrolo[2,1-B]quinazolin-9(1H)-one

Chemical Property:

• PSA: 34.89000
• LogP: 2.10520
• Storage Temp.: 2-8°C
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 263.98983
• Heavy Atom Count: 15
• Complexity: 329

Purity/Quality:

99% ^*data from raw suppliers

Pyrrolo[2,1-b]quinazolin-9(1H)-one 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC2=NC3=C(C=C(C=C3)Br)C(=O)N2C1

Technology Process of 7-Bromo-2,3-dihydropyrrolo[2,1-B]quinazolin-9(1H)-one

There total 8 articles about 7-Bromo-2,3-dihydropyrrolo[2,1-B]quinazolin-9(1H)-one 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: 86.0%

2-pyrrolidinon (616-45-5) + 5-Bromo-2-aminobenzoic acid (5794-88-7) → 2-bromo-7,8-dihydro-6H,11H-pyrrolo[2,1-b]quinazolin-11-one (61938-65-6)

Guidance literature:

With thionyl chloride; In benzene; for 4h; Reflux;

DOI:10.1248/cpb.56.607

Reference yield: 83.0%

5-Bromo-2-aminobenzoic acid (5794-88-7) + 4-amino-n-butyric acid (56-12-2) → 2-bromo-7,8-dihydro-6H,11H-pyrrolo[2,1-b]quinazolin-11-one (61938-65-6)

Guidance literature:

With phosphorus pentoxide; In m-xylene; for 3h; Reflux;

DOI:10.1080/00397911.2010.534228

Reference yield: 64.0%

deoxypeganine (495-59-0) → 2-bromo-7,8-dihydro-6H,11H-pyrrolo[2,1-b]quinazolin-11-one (61938-65-6)

Guidance literature:

deoxypeganine; With N-Bromosuccinimide; In chloroform; at 20 ℃; for 6h;

With sodium hydroxide;

DOI:10.1007/s10600-008-9128-6

upstream raw materials:

deoxypeganine

2,3-trimethylene-3,4-dihydroquinazoline hydrochloride

2-pyrrolidinon

5-Bromo-2-aminobenzoic acid

Downstream raw materials:

4-Benzoyl-7-bromo-2,3,3a,4-tetrahydro-1H-pyrrolo[2,1-b]quinazolin-9-one