2-chloro-11-Methyl-5H-benzo[e]pyriMido[5,4-b][1,4]diazepin-6(11H)-one

Base Information

• Chemical Name: 2-chloro-11-Methyl-5H-benzo[e]pyriMido[5,4-b][1,4]diazepin-6(11H)-one
• CAS No.: 66427-86-9
• Molecular Formula: C12H9ClN4O
• Molecular Weight: 260.683

Synonyms:2-chloro-11-methyl-5,11-dihydro-benzo[e]pyrimido[5,4-b][1,4]diazepin-6-one;2-Chloro-11-methylpyrimido-<4,5-b><1,4>-benzodiazepin-6(5H)-on;6H-Pyrimido(4,5-b)(1,4)benzodiazepin-6-one,2-chloro-5,11-dihydro-11-methyl;2-Chloro-11-methyl-5H-benzo[e]pyrimido[5,4-b][1,4]diazepin-6(11H)-one;

Chemical Property of 2-chloro-11-Methyl-5H-benzo[e]pyriMido[5,4-b][1,4]diazepin-6(11H)-one

Chemical Property:

• Vapor Pressure: 1.34E-06mmHg at 25°C
• Melting Point: 324-326 °C(Solv: methanol (67-56-1))
• Boiling Point: 399.7°Cat760mmHg
• PKA: 9.67±0.20(Predicted)
• Flash Point: 195.5°C
• PSA: 63.57000
• Density: 1.403g/cm³
• LogP: 2.02540

Purity/Quality:

99%, ^*data from raw suppliers

2-Chloro-11-methyl-5H-benzo[e]pyrimido[5,4-b][1,4]diazepin-6(11H)-one 95%+ ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 2-chloro-11-Methyl-5H-benzo[e]pyriMido[5,4-b][1,4]diazepin-6(11H)-one

There total 8 articles about 2-chloro-11-Methyl-5H-benzo[e]pyriMido[5,4-b][1,4]diazepin-6(11H)-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: 96.0%

ethyl 2-((2-chloro-5-nitropyrimidin-4-yl)(methyl)amino)benzoate (1234479-74-3) → 2-chloro-11-methyl-5,11-dihydro-6H-benzo[e]pyrimido-[5,4-b][1,4]diazepin-6-one (66427-86-9)

Guidance literature:

With iron; acetic acid; at 50 ℃; for 12h;

DOI:10.1016/j.bmcl.2020.126948

Reference yield: 49.6%

2-[(2-chloro-5-nitro-pyrimidin-4-yl)-methyl-amino]-benzoic acid methyl ester (66427-79-0) → 2-chloro-11-methyl-5,11-dihydro-6H-benzo[e]pyrimido-[5,4-b][1,4]diazepin-6-one (66427-86-9)

Guidance literature:

With iron; acetic acid; at 55 ℃;

Reference yield:

N-methyl-anthranilic acid ethyl ester (35472-56-1) → 2-chloro-11-methyl-5,11-dihydro-6H-benzo[e]pyrimido-[5,4-b][1,4]diazepin-6-one (66427-86-9)

Guidance literature:

Multi-step reaction with 2 steps

1: N-ethyl-N,N-diisopropylamine / 1,4-dioxane / 50 °C

2: iron; acetic acid / 50 °C

With iron; acetic acid; N-ethyl-N,N-diisopropylamine; In 1,4-dioxane;

DOI:10.1021/ml100304b

upstream raw materials:

ethyl 2-((2-chloro-5-nitropyrimidin-4-yl)(methyl)amino)benzoate

N-methyl-anthranilic acid ethyl ester

N-Methylanthranilic acid

anthranilic acid

Downstream raw materials:

2-chloro-5,11-dimethyl-5,11-dihydro-6H-benzo[e]pyrimido[5,4-b][1,4]diazepin-6-one

2-((2-methoxy-4-(4-methylpiperazin-1-yl)phenyl)amino)-11-methyl-5,11-dihydro-6H-benzo[e]pyrimido[5,4-b][1,4]diazepin-6-one

2-((2-methoxy-4-(4-methylpiperazin-1-yl)phenyl)amino)-5,11-dimethyl-5,11-dihydro-6H-benzo[e]pyrimido[5,4-b][1,4]diazepin-6-one

XMD₁₂-70-2

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