2-Bromo-7,8,9,10-tetrahydroazepino[2,1-b]quinazolin-12(6h)-one

Base Information

• Chemical Name: 2-Bromo-7,8,9,10-tetrahydroazepino[2,1-b]quinazolin-12(6h)-one
• CAS No.: 61938-69-0
• Molecular Formula: C₁₃H₁₃BrN₂O
• Molecular Weight: 293.163
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID30352302
• Nikkaji Number: J500.137D
• Wikidata: Q82129363
• ChEMBL ID: CHEMBL1586155
• Mol file: 61938-69-0.mol

Synonyms:2-bromo-7,8,9,10-tetrahydroazepino[2,1-b]quinazolin-12(6h)-one;61938-69-0;2-bromo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one;2-BROMO-7,8,9,10-TETRAHYDROAZEPINO(2,1-B)QUINAZOLIN-12(6H)-ONE;Oprea1_524773;MLS000536806;CHEMBL1586155;DTXSID30352302;HMS2355A20;MFCD01123673;STL281418;AKOS001030547;SMR000155646;CS-0365328;EU-0003584;1W-0933;2-BROMO-6H,7H,8H,9H,10H,12H-AZEPINO[2,1-B]QUINAZOLIN-12-ONE

Chemical Property of 2-Bromo-7,8,9,10-tetrahydroazepino[2,1-b]quinazolin-12(6h)-one

Chemical Property:

• Vapor Pressure: 1.35E-07mmHg at 25°C
• Boiling Point: 429.9oC at 760 mmHg
• Flash Point: 213.8oC
• PSA: 34.89000
• Density: 1.61g/cm3
• LogP: 2.88540
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 292.02113
• Heavy Atom Count: 17
• Complexity: 355

Purity/Quality:

99% ^*data from raw suppliers

2-Bromo-7,8,9,10-tetrahydroazepino[2,1-b]quinazolin-12(6H)-one 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC2=NC3=C(C=C(C=C3)Br)C(=O)N2CC1

Technology Process of 2-Bromo-7,8,9,10-tetrahydroazepino[2,1-b]quinazolin-12(6h)-one

There total 5 articles about 2-Bromo-7,8,9,10-tetrahydroazepino[2,1-b]quinazolin-12(6h)-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:

7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one (4425-23-4) → 2-bromo-7,8,9,10-tetrahydroazepino<2,1-b>quinazolin-12(6H)-one (61938-69-0)

Guidance literature:

With N-Bromosuccinimide; In acetic acid; at 85 ℃; for 4h;

DOI:10.1007/BF00630176

Reference yield:

anthranilic acid (118-92-3,159201-01-1,50816-84-7,80206-34-4,104809-47-4) → 2-bromo-7,8,9,10-tetrahydroazepino<2,1-b>quinazolin-12(6H)-one (61938-69-0)

Guidance literature:

Multi-step reaction with 3 steps

1: 55 percent / Br₂ / acetic acid / 5 - 10 °C

2: SOCl₂ / benzene / Heating

3: benzene / Ambient temperature

With thionyl chloride; bromine; In acetic acid; benzene;

Reference yield:

5-Bromo-2-aminobenzoic acid (5794-88-7) → 2-bromo-7,8,9,10-tetrahydroazepino<2,1-b>quinazolin-12(6H)-one (61938-69-0)

Guidance literature:

Multi-step reaction with 2 steps

1: SOCl₂ / benzene / Heating

2: benzene / Ambient temperature

With thionyl chloride; In benzene;

upstream raw materials:

caprolactam

2-amino-5-bromobenzoic acid chloride

7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one

anthranilic acid

Downstream raw materials:

5-Benzoyl-2-bromo-5a,6,7,8,9,10-hexahydro-5H-azepino[2,1-b]quinazolin-12-one