2,3,4,5-Tetrahydro-1H-benzo[e][1,4]diazepine

Base Information

• Chemical Name: 2,3,4,5-Tetrahydro-1H-benzo[e][1,4]diazepine
• CAS No.: 5946-39-4
• Molecular Formula: C9H12N2
• Molecular Weight: 148.208
• Hs Code.: 2933990090
• European Community (EC) Number: 640-697-4
• DSSTox Substance ID: DTXSID20378071
• Nikkaji Number: J775.074I
• Wikidata: Q82167532
• ChEMBL ID: CHEMBL323692
• Mol file: 5946-39-4.mol

Synonyms:2,3,4,5-Tetrahydro-1H-benzo[e][1,4]diazepine;5946-39-4;2,3,4,5-tetrahydro-1H-1,4-benzodiazepine;1H-1,4-Benzodiazepine, 2,3,4,5-tetrahydro-;CHEMBL323692;MFCD03789577;2,3,4,5-tetrahydro-(1h)-1,4-benzodiazepine;D0V0NJ;2,3,4,5-tetrahydro-1h benzo[e][1,4]diazepine;SCHEMBL379799;tetrahydrobenzo[1,4]diazepine;DTXSID20378071;MLXBHOCKBUILHN-UHFFFAOYSA-N;BBL100421;BDBM50052888;STL554215;AKOS005254212;AC-6564;AS-38475;PD180117;A8362;AM20040802;FT-0678096;EN300-39371;2,3,4,5-Tetrahydro-1H-benzo[1,4]diazepine;Q-102437;Z382719980

Chemical Property of 2,3,4,5-Tetrahydro-1H-benzo[e][1,4]diazepine

Chemical Property:

• Vapor Pressure: 0.002mmHg at 25°C
• Melting Point: 96-100°C
• Refractive Index: 1.53
• Boiling Point: 289.7 °C at 760 mmHg
• PKA: 8.70±0.20(Predicted)
• Flash Point: 176.9 °C
• PSA: 24.06000
• Density: 1.014 g/cm³
• LogP: 1.66850
• Storage Temp.: 2-8°C(protect from light)
• Sensitive.: Air Sensitive
• XLogP3: 1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 148.100048391
• Heavy Atom Count: 11
• Complexity: 125

Purity/Quality:

99% ^*data from raw suppliers

2,3,4,5-Tetrahydro-1H-benzo[e][1,4]diazepine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CNC2=CC=CC=C2CN1

Technology Process of 2,3,4,5-Tetrahydro-1H-benzo[e][1,4]diazepine

There total 24 articles about 2,3,4,5-Tetrahydro-1H-benzo[e][1,4]diazepine 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: 98.0%

1,4-benzodiazepine-2,5-dione (5118-94-5) → 2,3,4,5-tetrahydro-1H-benzo[e][1,4]diazepine (5946-39-4)

Guidance literature:

1,4-benzodiazepine-2,5-dione; With lithium aluminium tetrahydride; In tetrahydrofuran; Cooling with ice;

With ammonium hydroxide; In tetrahydrofuran; at 20 ℃; for 0.666667h; Cooling with ice;

Reference yield: 90.0%

3-Methoxy-2-methyl-2,3-dihydro-1H-benzo[e][1,4]diazepine (114627-59-7) → 2,3,4,5-tetrahydro-1H-benzo[e][1,4]diazepine (5946-39-4)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; for 1h; Heating;

Reference yield: 85.0%

3-Methoxy-2-methyl-3H-benzo[e][1,4]diazepine (107468-28-0) → 2,3,4,5-tetrahydro-1H-benzo[e][1,4]diazepine (5946-39-4)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; for 1h; Heating;

upstream raw materials:

1,2,3,4-tetrahydro-5H-benzo[e][1,4]diazepin-5-one

3-Methoxy-2-methyl-3H-benzo[e][1,4]diazepine

3-Methoxy-2-methyl-2,3-dihydro-1H-benzo[e][1,4]diazepine

1,4-benzodiazepine-2,5-dione

Downstream raw materials:

1,2,3,5-tetrahydro-benzo[e][1,4]diazepine-4-carboxylic acid diphenylamide

2,3,4,5-Tetrahydro-4-[(1,1-dimethylethoxy)-carbonyl]-1H-1,4-benzodiazepine

2-(1,2,3,5-tetrahydro-benzo[e][1,4]diazepine-4-sulfonyl)-benzoic acid methyl ester

2,3,4,5-tetrahydro-1-[1-oxo-2-(1-triphenylmethylimidazol-4-yl)ethyl]-4-[(1,1-dimethylethoxy)carbonyl]-1H-1,4-benzodiazepine