3-Methyl-4-oxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-1-carbaldehyde

Base Information

• Chemical Name: 3-Methyl-4-oxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-1-carbaldehyde
• CAS No.: 104310-02-3
• Molecular Formula: C11H12 N2 O2
• Molecular Weight: 204.2252
• Hs Code.: 2933990090
• Mol file: 104310-02-3.mol

Synonyms:3-methyl-4-oxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-1-carbaldehyde;2,3,4,5-Tetrahydro-3-methyl-4-oxo-1H-1,5-benzodiazepine-1-carboxaldehyde;1H-1,5-BENZODIAZEPINE-1-CARBOXALDEHYDE,2,3,4,5-TETRAHYDRO-3-METHYL-4-OXO;

Chemical Property of 3-Methyl-4-oxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-1-carbaldehyde

Chemical Property:

• Vapor Pressure: 1.95E-07mmHg at 25°C
• Boiling Point: 425.2°C at 760 mmHg
• Flash Point: 210.9°C
• PSA: 49.41000
• Density: 1.244g/cm³
• LogP: 2.07650

Purity/Quality:

98%min ^*data from raw suppliers

3-Methyl-4-oxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-1-carbaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 3-Methyl-4-oxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-1-carbaldehyde

There total 2 articles about 3-Methyl-4-oxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-1-carbaldehyde 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%

formic acid (64-18-6) + 3-methyl-1,3,4,5-tetrahydro-2H-benzo[b][1,4]diazepin-2-one (54028-76-1) → 3-Methyl-4-oxo-2,3,4,5-tetrahydro-benzo[b][1,4]diazepine-1-carbaldehyde (104310-02-3)

Guidance literature:

In water; benzene; Heating;

DOI:10.1007/BF00767169

Reference yield:

1,2-diamino-benzene (95-54-5) → 3-Methyl-4-oxo-2,3,4,5-tetrahydro-benzo[b][1,4]diazepine-1-carbaldehyde (104310-02-3)

Guidance literature:

Multi-step reaction with 2 steps

1: 23 percent / 2 h / 200 °C

2: 32 percent / H₂O; benzene / Heating

In water; benzene;

DOI:10.1007/BF00767169

Reference yield: 75.0%

benzyl bromide (100-39-0) + 3-Methyl-4-oxo-2,3,4,5-tetrahydro-benzo[b][1,4]diazepine-1-carbaldehyde (104310-02-3) → 5-Benzyl-3-methyl-4-oxo-2,3,4,5-tetrahydro-benzo[b][1,4]diazepine-1-carbaldehyde (119483-60-2)

Guidance literature:

With potassium hydroxide; In acetone; Heating;

DOI:10.1007/BF00633177

upstream raw materials:

formic acid

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

1,2-diamino-benzene

Downstream raw materials:

5-Benzyl-3-methyl-4-oxo-2,3,4,5-tetrahydro-benzo[b][1,4]diazepine-1-carbaldehyde

Refernces

• 1、 Puodzhyunaite, B. A.,Yanchene, R. A.,Talaikite, Z. A.,Zaks, A. S.,Rabotnikov, Yu. M.,Usachev, E. A.. "SYNTHESIS AND BIOLOGICAL ACTIVITY OF N-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-1,5-BENZODIAZEPIN-2-ONES". . p. 686 - 690. Retrieved 2007/10/02.