Carbamic acid, 4-pyridinyl-, 4-nitrophenyl ester

Base Information

• Chemical Name: Carbamic acid, 4-pyridinyl-, 4-nitrophenyl ester
• CAS No.: 117652-50-3
• Molecular Formula: C12H9N3O4
• Molecular Weight: 259.221
• DSSTox Substance ID: DTXSID90438631
• Wikidata: Q82254433
• Mol file: 117652-50-3.mol

Synonyms:117652-50-3;Carbamic acid, 4-pyridinyl-, 4-nitrophenyl ester;4-Nitrophenyl pyridin-4-ylcarbamate;SCHEMBL3052125;DTXSID90438631;ZUGBHSQFEVLEEI-UHFFFAOYSA-N

Chemical Property of Carbamic acid, 4-pyridinyl-, 4-nitrophenyl ester

Chemical Property:

• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 259.05930578
• Heavy Atom Count: 19
• Complexity: 317

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1[N+](=O)[O-])OC(=O)NC2=CC=NC=C2

Technology Process of Carbamic acid, 4-pyridinyl-, 4-nitrophenyl ester

There total 2 articles about Carbamic acid, 4-pyridinyl-, 4-nitrophenyl ester 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-aminopyridine (504-24-5) + 4-Nitrophenyl chloroformate (7693-46-1) → pyridin-4-yl-carbamic acid 4-nitro-phenyl ester (117652-50-3)

Guidance literature:

With pyridine; In dichloromethane; for 24h; Ambient temperature;

DOI:10.1021/jm00017a007

Reference yield:

→ pyridin-4-yl-carbamic acid 4-nitro-phenyl ester (117652-50-3)

Guidance literature:

In dichloromethane; at 20 ℃; for 5h;

Reference yield: 60.0%

pyridin-4-yl-carbamic acid 4-nitro-phenyl ester (117652-50-3) + VUF 5728 (182807-84-7) → 1-{5-[4-(4-chloro-phenyl)-4-hydroxy-piperidin-1-yl]-2,2-diphenyl-pentyl}-3-pyridin-4-yl-urea

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 20 ℃;

DOI:10.1021/jm0201767

upstream raw materials:

4-aminopyridine

4-Nitrophenyl chloroformate

Downstream raw materials:

(R)-N-(pyridin-4-yl)-1-(4-(trifluoromethyl)phenyl)-3,4-dihydroisoquinoline-2(1H)-carboxamide

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