Diethyl-2-acetamido-2-(7-chloro-5-(2-fluorophenyl)-3H-benzo[e][1,4]diazepin-2-yl)malonate

Base Information

• Chemical Name: Diethyl-2-acetamido-2-(7-chloro-5-(2-fluorophenyl)-3H-benzo[e][1,4]diazepin-2-yl)malonate
• CAS No.: 59469-46-4
• Molecular Formula: C₂₄H₂₃ClFN₃O₅
• Molecular Weight: 487.915
• European Community (EC) Number: 620-280-3
• DSSTox Substance ID: DTXSID501107595

Synonyms:59469-46-4;DTXSID501107595;Diethyl-2-acetamido-2-(7-chloro-5-(2-fluorophenyl)-3H-benzo[e][1,4]diazepin-2-yl)malonate;Propanedioic acid, 2-(acetylamino)-2-[7-chloro-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2-yl]-, 1,3-diethyl ester

Chemical Property of Diethyl-2-acetamido-2-(7-chloro-5-(2-fluorophenyl)-3H-benzo[e][1,4]diazepin-2-yl)malonate

Chemical Property:

• PSA: 106.42000
• LogP: 2.66580
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 9
• Exact Mass: 487.1310267
• Heavy Atom Count: 34
• Complexity: 831

Purity/Quality:

99.9% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C(C1=NC2=C(C=C(C=C2)Cl)C(=NC1)C3=CC=CC=C3F)(C(=O)OCC)NC(=O)C

Technology Process of Diethyl-2-acetamido-2-(7-chloro-5-(2-fluorophenyl)-3H-benzo[e][1,4]diazepin-2-yl)malonate

There total 2 articles about Diethyl-2-acetamido-2-(7-chloro-5-(2-fluorophenyl)-3H-benzo[e][1,4]diazepin-2-yl)malonate 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-acetylaminomalonic acid diethyl ester (1068-90-2) + di-morpholin-4-yl-phosphinic acid 7-chloro-5-(2-fluoro-phenyl)-3H-benzo[e][1,4]diazepin-2-yl ester (59688-88-9) → acetylamino-[7-chloro-5-(2-fluoro-phenyl)-3H-benzo[e][1,4]diazepin-2-yl]-malonic acid diethyl ester (59469-46-4)

Guidance literature:

In N-methyl-acetamide; dichloromethane; isopropyl alcohol; mineral oil; Petroleum ether;

Reference yield:

→ acetylamino-[7-chloro-5-(2-fluoro-phenyl)-3H-benzo[e][1,4]diazepin-2-yl]-malonic acid diethyl ester (59469-46-4)

Guidance literature:

entspr. 2-Bismorpholinophosphinyloxy-diazepin + Acetamidomalonester.;

upstream raw materials:

2-acetylaminomalonic acid diethyl ester

di-morpholin-4-yl-phosphinic acid 7-chloro-5-(2-fluoro-phenyl)-3H-benzo[e][1,4]diazepin-2-yl ester

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