DIBENZ(b,f)(1,4)OXAZEPINE, 11-(4-METHYL-1-PIPERAZINYL)-

Base Information

• Chemical Name: DIBENZ(b,f)(1,4)OXAZEPINE, 11-(4-METHYL-1-PIPERAZINYL)-
• CAS No.: 2058-53-9
• Molecular Formula: C18H19N3O
• Molecular Weight: 293.363
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID50174588
• Nikkaji Number: J42.217G
• ChEMBL ID: CHEMBL339414
• Mol file: 2058-53-9.mol

Synonyms:2058-53-9;DIBENZ(b,f)(1,4)OXAZEPINE, 11-(4-METHYL-1-PIPERAZINYL)-;BRN 0563562;6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzoxazepine;11-(4-Methylpiperazino)dibenzo[b,f][1,4]oxazepine;11-(4-Methyl-1-piperazinyl)dibenz(b,f)(1,4)oxazepine;CL-214828;Dibenz[b,f][1,4]oxazepine, 11-(4-methyl-1-piperazinyl)-;SCHEMBL140907;CHEMBL339414;DTXSID50174588;AKOS040751211;LS-61577

Chemical Property of DIBENZ(b,f)(1,4)OXAZEPINE, 11-(4-METHYL-1-PIPERAZINYL)-

Chemical Property:

• Vapor Pressure: 1.56E-07mmHg at 25°C
• Boiling Point: 428.1°Cat760mmHg
• Flash Point: 212.7°C
• PSA: 28.07000
• Density: 1.22g/cm³
• LogP: 2.42940
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 293.152812238
• Heavy Atom Count: 22
• Complexity: 417

Purity/Quality:

99% ^*data from raw suppliers

CL-214828 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1CCN(CC1)C2=NC3=CC=CC=C3OC4=CC=CC=C42

Technology Process of DIBENZ(b,f)(1,4)OXAZEPINE, 11-(4-METHYL-1-PIPERAZINYL)-

There total 8 articles about DIBENZ(b,f)(1,4)OXAZEPINE, 11-(4-METHYL-1-PIPERAZINYL)- 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:

2-fluoro-N-(2-hydroxyphenyl)-benzamide (666818-15-1) → 11-(4-Methyl-1-piperazinyl)dibenz<1.4>oxazepin (2058-53-9)

Guidance literature:

Multi-step reaction with 3 steps

1: NaOH / dimethylformamide / 5 h / Heating

2: POCl₃ / Heating

3: 472 mg / toluene / 2 h / Heating

With sodium hydroxide; trichlorophosphate; In N,N-dimethyl-formamide; toluene;

DOI:10.1021/jm051008s

Reference yield:

10H-dibenzo[b,f][1,4]oxazepin-11-one (3158-85-8) → 11-(4-Methyl-1-piperazinyl)dibenz<1.4>oxazepin (2058-53-9)

Guidance literature:

Multi-step reaction with 2 steps

1: POCl₃ / Heating

2: 472 mg / toluene / 2 h / Heating

With trichlorophosphate; In toluene;

DOI:10.1021/jm051008s

Reference yield:

o-fluoro-benzoic acid (445-29-4) → 11-(4-Methyl-1-piperazinyl)dibenz<1.4>oxazepin (2058-53-9)

Guidance literature:

Multi-step reaction with 5 steps

1: thionyl chloride / 2 h / Heating

2: Et₃N / tetrahydrofuran / 0 - 20 °C

3: NaOH / dimethylformamide / 5 h / Heating

4: POCl₃ / Heating

5: 472 mg / toluene / 2 h / Heating

With sodium hydroxide; thionyl chloride; triethylamine; trichlorophosphate; In tetrahydrofuran; N,N-dimethyl-formamide; toluene;

DOI:10.1021/jm051008s

upstream raw materials:

1-methyl-piperazine

11-chloro-dibenz<1,4>oxazepine

4-methyl-piperazine-1-carboxylic acid 2-phenoxy-anilide

2-fluoro-N-(2-hydroxyphenyl)-benzamide