ethyl N-[4-(benzhydrylamino)-6-chloro-5-nitro-2-pyridyl]carbamate

Base Information

• Chemical Name: ethyl N-[4-(benzhydrylamino)-6-chloro-5-nitro-2-pyridyl]carbamate
• CAS No.: 6497-85-4
• Molecular Formula: C21H19 Cl N4 O4
• Molecular Weight: 426.853
• NSC Number: 91013
• DSSTox Substance ID: DTXSID90983530
• Wikidata: Q82970450

Synonyms:6497-85-4;NSC91013;SCHEMBL13328089;DTXSID90983530;ethyl N-[4-(benzhydrylamino)-6-chloro-5-nitro-2-pyridyl]carbamate;NSC-91013;[4-(Benzhydryl-amino)-6-chloro-5-nitro-pyridin-2-yl]-carbamic acid ethyl ester;Ethyl hydrogen {6-chloro-4-[(diphenylmethyl)amino]-5-nitropyridin-2-yl}carbonimidate

Chemical Property of ethyl N-[4-(benzhydrylamino)-6-chloro-5-nitro-2-pyridyl]carbamate

Chemical Property:

• Vapor Pressure: 2.94E-12mmHg at 25°C
• Boiling Point: 552.7°C at 760 mmHg
• Flash Point: 288°C
• Density: 1.393g/cm³
• XLogP3: 5.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 7
• Exact Mass: 426.1094828
• Heavy Atom Count: 30
• Complexity: 546

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)NC1=NC(=C(C(=C1)NC(C2=CC=CC=C2)C3=CC=CC=C3)[N+](=O)[O-])Cl

Technology Process of ethyl N-[4-(benzhydrylamino)-6-chloro-5-nitro-2-pyridyl]carbamate

There total 1 articles about ethyl N-[4-(benzhydrylamino)-6-chloro-5-nitro-2-pyridyl]carbamate 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:

→ (4-benzhydrylamino-6-chloro-5-nitro-pyridin-2-yl)-carbamic acid ethyl ester (6497-85-4)

Guidance literature:

6-Ethoxycarbonylamino-3-nitro-4-diphenylmethylamino-pyridin-2-ol/POCl3 (Suspension), erwaermen (80grad), neben 6-Ethoxycarbonylamino-2-chlor-4-nitro-pyridin-4-amin (IX);

Reference yield:

(4-benzhydrylamino-6-chloro-5-nitro-pyridin-2-yl)-carbamic acid ethyl ester (6497-85-4) → [5-Amino-4-(benzhydryl-amino)-6-chloro-pyridin-2-yl]-carbamic acid ethyl ester (109182-46-9)

Guidance literature:

With hydrogen; nickel; In ethanol; for 11h; under 760 Torr; Ambient temperature;

DOI:10.1021/jm00393a011

Reference yield:

(4-benzhydrylamino-6-chloro-5-nitro-pyridin-2-yl)-carbamic acid ethyl ester (6497-85-4) → ethyl 4-chloro-2-phenyl-1-(diphenylmethyl)-1H-imidazo<4,5-c>pyridin-6-ylcarbamate (109182-48-1)

Guidance literature:

Multi-step reaction with 2 steps

1: H₂ / Raney Ni / ethanol / 11 h / 760 Torr / Ambient temperature

2: 320 mg / ethanol / 174 h / Ambient temperature

With hydrogen; nickel; In ethanol;

DOI:10.1021/jm00393a011

Downstream raw materials:

[5-Amino-4-(benzhydryl-amino)-6-chloro-pyridin-2-yl]-carbamic acid ethyl ester

ethyl 4-chloro-2-phenyl-1-(diphenylmethyl)-1H-imidazo<4,5-c>pyridin-6-ylcarbamate

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