Carbamic acid, 4-pyridinyl-, phenyl ester

Base Information

• Chemical Name: Carbamic acid, 4-pyridinyl-, phenyl ester
• CAS No.: 20951-01-3
• Molecular Formula: C12H10N2O2
• Molecular Weight: 214.224
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID20943243
• Wikidata: Q82920297
• Mol file: 20951-01-3.mol

Synonyms:20951-01-3;Carbamic acid, 4-pyridinyl-, phenyl ester;Phenyl N-pyridin-4-ylcarbamate;Carbamic acid, N-4-pyridinyl-, phenyl ester;phenyl pyridin-4-ylcarbamate;pyridin-4-yl-carbamic acid phenyl ester;4-phenoxycarbonylaminopyridine;SCHEMBL589501;4-(phenoxycarbonylamino)pyridine;DTXSID20943243;O-phenyl N-(4-pyridyl)carbamate;ASYPRKQJWDKLCV-UHFFFAOYSA-N;AKOS009133313;Phenyl pyridin-4(1H)-ylidenecarbamate

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

Chemical Property:

• Melting Point: 148 °C
• Boiling Point: 338.3±24.0 °C(Predicted)
• PKA: 11.80±0.70(Predicted)
• PSA: 54.45000
• Density: 1.277±0.06 g/cm3(Predicted)
• LogP: 2.11440
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 214.074227566
• Heavy Atom Count: 16
• Complexity: 221

Purity/Quality:

97% ^*data from raw suppliers

Phenylpyridin-4-ylcarbamate 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)OC(=O)NC2=CC=NC=C2

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

There total 3 articles about Carbamic acid, 4-pyridinyl-, phenyl 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: 93.0%

4-aminopyridine (504-24-5) + phenyl chloroformate (1885-14-9) → pyridin-4-yl-carbamic acid phenyl ester (20951-01-3)

Guidance literature:

With sodium hydrogencarbonate; In tetrahydrofuran; water; at 0 - 20 ℃; for 0.0833333h;

DOI:10.1016/j.tetlet.2014.01.052

Reference yield:

4-aminopyridine (504-24-5) + bis(phenyl) carbonate (102-09-0) → pyridin-4-yl-carbamic acid phenyl ester (20951-01-3)

Guidance literature:

4-aminopyridine; With sodium hydride; In N,N-dimethyl-formamide; cooling;

bis(phenyl) carbonate; In N,N-dimethyl-formamide; at 20 ℃;

DOI:10.1021/jm049530m

Reference yield:

→ pyridin-4-yl-carbamic acid phenyl ester (20951-01-3)

Guidance literature:

entspr. Amin, Phenylchlorformiat;

DOI:10.1021/je60041a042

upstream raw materials:

4-aminopyridine

phenyl chloroformate

bis(phenyl) carbonate

Downstream raw materials:

1-(4-(4-(4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)benzyl)piperazine-1-carbonyl)-2-methoxyphenyl)-3-(pyridin-4-yl)urea

1-(2,6-difluoro-4-(4-(4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)benzyl)piperazine-1-carbonyl)phenyl)-3-(pyridin-4-yl)urea

1-(4-(4-(4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)benzyl)piperazine-1-carbonyl)-2-(trifluoromethoxy)phenyl)-3-(pyridin-4-yl)urea

1-(5-bromo-2-fluoro-4-(4-(4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)benzyl)piperazine-1-carbonyl)phenyl)-3-(pyridin-4-yl)urea

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