7-(2-Carbomethoxyethyl)-5-(2-chlorophenyl)-thieno-1,4-diazepin-2-one

Base Information

• Chemical Name: 7-(2-Carbomethoxyethyl)-5-(2-chlorophenyl)-thieno-1,4-diazepin-2-one
• CAS No.: 100827-80-3
• Molecular Formula: C17H15ClN2O3S
• Molecular Weight: 362.8306
• Mol file: 100827-80-3.mol

Synonyms:7-(2-Carbomethoxyethyl)-5-(2-chlorophenyl)-thieno-1,4-diazepin-2-one;5-(2-Chlorophenyl)-2,3-dihydro-2-oxo-1H-thieno[2,3-e]-1,4-diazepine-7-propanoic Acid Methyl Ester

Chemical Property of 7-(2-Carbomethoxyethyl)-5-(2-chlorophenyl)-thieno-1,4-diazepin-2-one

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 534.44°C at 760 mmHg
• PKA: 12.93±0.40(Predicted)
• Flash Point: 277.02°C
• PSA: 99.49000
• Density: 1.428g/cm³
• LogP: 2.81730
• Storage Temp.: Refrigerator
• Solubility.: Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)

Purity/Quality:

97% ^*data from raw suppliers

7-(2-Carbomethoxyethyl)-5-(2-chlorophenyl)-thieno-1,4-diazepin-2-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 7-(2-Carbomethoxyethyl)-5-(2-chlorophenyl)-thieno-1,4-diazepin-2-one

There total 7 articles about 7-(2-Carbomethoxyethyl)-5-(2-chlorophenyl)-thieno-1,4-diazepin-2-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: 52.0%

2-Aminoacetylamino-3-o-chlorobenzoyl-5-(2-carbomethoxyethyl)thiophene (100827-81-4) → 7-(2-carbomethoxyethyl)-5-(2-chlorophenyl)-1H-thieno<2,3-e>-1,4-diazepin-2-one (100827-80-3)

Guidance literature:

With silica gel; In toluene; Heating;

DOI:10.1002/jps.2600741205

Reference yield:

diethyl 2-(3-oxo-propyl)malonate (19515-61-8) → 7-(2-carbomethoxyethyl)-5-(2-chlorophenyl)-1H-thieno<2,3-e>-1,4-diazepin-2-one (100827-80-3)

Guidance literature:

Multi-step reaction with 6 steps

1: 74 percent / sulfur, Et₃N / dimethylformamide / 3 h / 60 - 70 °C

2: 30 g / KOH, water / methanol / 2 h / Heating

3: 45 percent / H₂SO₄ / 18 h / Ambient temperature

4: 92 percent / aq. NaHCO₃ / toluene / 1.5 h / 40 - 50 °C

5: 25 g / NH₃ / ethyl acetate / 3 h / Ambient temperature

6: 52 percent / silica gel / toluene / Heating

With potassium hydroxide; sulfuric acid; ammonia; water; silica gel; sodium hydrogencarbonate; sulfur; triethylamine; In methanol; ethyl acetate; N,N-dimethyl-formamide; toluene;

DOI:10.1002/jps.2600741205

Reference yield:

2-Chlorobenzoyl acetonitrile (40018-25-5) → 7-(2-carbomethoxyethyl)-5-(2-chlorophenyl)-1H-thieno<2,3-e>-1,4-diazepin-2-one (100827-80-3)

Guidance literature:

Multi-step reaction with 6 steps

1: 74 percent / sulfur, Et₃N / dimethylformamide / 3 h / 60 - 70 °C

2: 30 g / KOH, water / methanol / 2 h / Heating

3: 45 percent / H₂SO₄ / 18 h / Ambient temperature

4: 92 percent / aq. NaHCO₃ / toluene / 1.5 h / 40 - 50 °C

5: 25 g / NH₃ / ethyl acetate / 3 h / Ambient temperature

6: 52 percent / silica gel / toluene / Heating

With potassium hydroxide; sulfuric acid; ammonia; water; silica gel; sodium hydrogencarbonate; sulfur; triethylamine; In methanol; ethyl acetate; N,N-dimethyl-formamide; toluene;

DOI:10.1002/jps.2600741205

upstream raw materials:

2-Aminoacetylamino-3-o-chlorobenzoyl-5-(2-carbomethoxyethyl)thiophene

diethyl 2-(3-oxo-propyl)malonate

2-Chlorobenzoyl acetonitrile

3-(5-amino-4-(2-chlorobenzoyl)thiophen-2-yl)propionic acid

Downstream raw materials:

7-(2-carbomethoxyethyl)-5-(2-chlorophenyl)-1H-thieno<2,3-e>-1,4-diazepine-2-thione

3-[5-(2-Chloro-phenyl)-2-hydrazono-2,3-dihydro-1H-thieno[2,3-e][1,4]diazepin-7-yl]-propionic acid methyl ester

2-[4-(2-Chlorophenyl)-9-methyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-2-yl]-ethane-1-carboxylic acid

2-(2-carbomethoxyethyl)-4-(2-chlorophenyl)-9-methyl-6H-thieno-<3,2-f><1,2,4>triazolo-<4,3-a><1,4>-diazepine