2-(Boc-amino)pyridine

Base Information

• Chemical Name: 2-(Boc-amino)pyridine
• CAS No.: 38427-94-0
• Molecular Formula: C10H14 N2 O2
• Molecular Weight: 194.233
• Hs Code.: 29333990
• European Community (EC) Number: 640-521-6
• DSSTox Substance ID: DTXSID30458696
• Nikkaji Number: J1.047.325J
• Wikidata: Q72448411
• ChEMBL ID: CHEMBL4535644
• Mol file: 38427-94-0.mol

Synonyms:38427-94-0;2-(Boc-amino)pyridine;tert-Butyl pyridin-2-ylcarbamate;2-(tert-Butoxycarbonylamino)pyridine;2-BOC-Aminopyridine;Tert-butyl N-pyridin-2-ylcarbamate;tert-butyl N-(pyridin-2-yl)carbamate;TERT-BUTYL N-(2-PYRIDYL)CARBAMATE;MFCD03411622;CARBAMIC ACID, 2-PYRIDINYL-, 1,1-DIMETHYLETHYL ESTER;2-AminopyridineN-oxide;t-butoxycarbonylaminopyridine;tert-Butyl 2-pyridylcarbamate;SCHEMBL222110;2-t-Butoxycarbonylaminopyridine;tert-Butylpyridin-2-ylcarbamate;2-(Boc-amino)pyridine, 96%;CHEMBL4535644;DTXSID30458696;ORUGTGTZBRUQIT-UHFFFAOYSA-N;AB2756;AKOS005257702;AB14184;AC-1849;CS-W015737;AM807367;SY031550;TS-02761;A6512;FT-0603737;Pyridin-2-yl-carbamic acid tert-butyl ester;Pyridine-2-yl-carbamic acid tert-butyl ester;EN300-201816;J-506607;Z1198162066

Chemical Property of 2-(Boc-amino)pyridine

Chemical Property:

• Vapor Pressure: 0.019mmHg at 25°C
• Melting Point: 95-97oC
• Boiling Point: 252.7 °C at 760 mmHg
• PKA: 12.56±0.70(Predicted)
• Flash Point: 107 ºC
• PSA: 51.22000
• Density: 1.131
• LogP: 2.50160
• Storage Temp.: Inert atmosphere,Room Temperature
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 194.105527694
• Heavy Atom Count: 14
• Complexity: 199

Purity/Quality:

98% ^*data from raw suppliers

2-(Boc-amino)pyridine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22-43-36/37/38
• Safety Statements: 36/37-36-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)NC1=CC=CC=N1
• Uses: 2-(Boc-amino)pyridine is a protected derivative of the amino acid Pyridine, a heterocyclic compound that is commonly found in biological specimens (such as human red blood cells), and is used as a starting reagent and intermediate in the chemical and pharmaceutical industries.

Technology Process of 2-(Boc-amino)pyridine

There total 1 articles about 2-(Boc-amino)pyridine 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: 87.0%

2-aminopyridine (504-29-0) + di-tert-butyl dicarbonate (24424-99-5) → 1,3-di-pyridin-2-yl-urea (6268-43-5) + N-(tert-butoxycarbonyl)-2-aminopyridine (38427-94-0)

Guidance literature:

In tert-butyl alcohol; Ambient temperature;

DOI:10.1021/jm00119a014

Reference yield: 99.0%

N-ethylacetanilide (529-65-7) + N-(tert-butoxycarbonyl)-2-aminopyridine (38427-94-0) → tert-butyl (2-(ethyl(phenyl)amino)-2-oxoethyl)(pyridin-2-yl)-carbamate

Guidance literature:

N-(tert-butoxycarbonyl)-2-aminopyridine; With sodium hydride; In tetrahydrofuran; at 0 ℃; for 0.5h; Inert atmosphere;

N-ethylacetanilide; In tetrahydrofuran; at 20 ℃; for 16h; Inert atmosphere;

DOI:10.1021/acs.joc.6b01324

Reference yield: 96.0%

benzyl bromide (100-39-0) + N-(tert-butoxycarbonyl)-2-aminopyridine (38427-94-0) → benzyl-pyridin-2-yl-carbamic acid tert-butyl ester (442513-39-5)

Guidance literature:

With sodium hydride; In N,N-dimethyl-formamide; at 0 - 20 ℃; for 1.5h;

DOI:10.1021/jo020057z

upstream raw materials:

2-aminopyridine

di-tert-butyl dicarbonate

Downstream raw materials:

2--3-pyridinecarboxaldehyde

benzyl-pyridin-2-yl-carbamic acid tert-butyl ester

N-(t-butoxycarbonyl)-2-aminopyridine-3-carbonitrile

1-(tert-butoxycarbonyl)-1,2,3,4-tetrahydro-1,8-naphthyridine

Refernces