Benzamide, 5-fluoro-2-methyl-N-(5-(5H-pyrrolo(2,1-C)(1,4)benzodiazepin-10(11H)-ylcarbonyl)-2-pyridinyl)-

Base Information

• Chemical Name: Benzamide, 5-fluoro-2-methyl-N-(5-(5H-pyrrolo(2,1-C)(1,4)benzodiazepin-10(11H)-ylcarbonyl)-2-pyridinyl)-
• CAS No.: 180416-31-3
• Molecular Formula: C₂₆H₂₁FN₄O₂
• Molecular Weight: 440.477
• UNII: YS11IQJ45S
• Nikkaji Number: J1.117.923A
• Wikidata: Q27294687
• ChEMBL ID: CHEMBL300946
• Mol file: 180416-31-3.mol

Synonyms:5-fluoro-2-methyl-N-(5-(5H-pyrrolo(2,1-c)(1,4)benzodiazepine-10(11H)-ylcarbonyl)-2-pyridinyl)benzamide;CL 385,004;CL 385004;CL-385,004;CL-385004

Chemical Property of Benzamide, 5-fluoro-2-methyl-N-(5-(5H-pyrrolo(2,1-C)(1,4)benzodiazepin-10(11H)-ylcarbonyl)-2-pyridinyl)-

Chemical Property:

• XLogP3: 3.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 440.16485409
• Heavy Atom Count: 33
• Complexity: 720

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=C(C=C(C=C1)F)C(=O)NC2=NC=C(C=C2)C(=O)N3CC4=CC=CN4CC5=CC=CC=C53

Technology Process of Benzamide, 5-fluoro-2-methyl-N-(5-(5H-pyrrolo(2,1-C)(1,4)benzodiazepin-10(11H)-ylcarbonyl)-2-pyridinyl)-

There total 8 articles about Benzamide, 5-fluoro-2-methyl-N-(5-(5H-pyrrolo(2,1-C)(1,4)benzodiazepin-10(11H)-ylcarbonyl)-2-pyridinyl)- 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:

ethyl acetate n-hexane + 6-[(5-fluoro-2-methylbenzoyl)amino]pyridine-3-carboxylic acid (180339-39-3) + 6-[(5-fluoro-2-methylbenzoyl)amino]pyridine-3-carbonyl chloride (180340-68-5) → N-[5-(5H-pyrrolo[2,1-c][1,4]benzodiazepin-10(11H)-ylcarbonyl)-2-pyridinyl]-5-fluoro-2-methylbenzamide (180416-31-3)

Guidance literature:

With thionyl chloride; In dichloromethane;

Reference yield:

2-pyrrole aldehyde (1003-29-8,254729-95-8) → N-[5-(5H-pyrrolo[2,1-c][1,4]benzodiazepin-10(11H)-ylcarbonyl)-2-pyridinyl]-5-fluoro-2-methylbenzamide (180416-31-3)

Guidance literature:

Multi-step reaction with 3 steps

1: NaH / tetrahydrofuran / 0 °C

2: H₂ / Pd/C / ethanol / Ambient temperature

3: Et₃N / CH₂Cl₂ / Ambient temperature

With hydrogen; sodium hydride; triethylamine; palladium on activated charcoal; In tetrahydrofuran; ethanol; dichloromethane;

DOI:10.1016/S0960-894X(99)00279-6

Reference yield:

1-(2-Nitrobenzyl)-2-pyrrolecarboxaldehyde (22162-51-2) → N-[5-(5H-pyrrolo[2,1-c][1,4]benzodiazepin-10(11H)-ylcarbonyl)-2-pyridinyl]-5-fluoro-2-methylbenzamide (180416-31-3)

Guidance literature:

Multi-step reaction with 2 steps

1: H₂ / Pd/C / ethanol / Ambient temperature

2: Et₃N / CH₂Cl₂ / Ambient temperature

With hydrogen; triethylamine; palladium on activated charcoal; In ethanol; dichloromethane;

DOI:10.1016/S0960-894X(99)00279-6

upstream raw materials:

10,11-dihydro-5H-benzo[e]pyrrolo[1,2-a][1,4]diazepine

6-[(5-fluoro-2-methylbenzoyl)amino]pyridine-3-carbonyl chloride

2-pyrrole aldehyde

ethyl-6-amino-nicotinate