3-Pyridinecarboxylic acid, 2-amino-2-methylpropyl ester, dihydrochloride

Base Information

• Chemical Name: 3-Pyridinecarboxylic acid, 2-amino-2-methylpropyl ester, dihydrochloride
• CAS No.: 62471-42-5
• Molecular Formula: C10H16Cl2N2O2
• Molecular Weight: 267.1522
• DSSTox Substance ID: DTXSID40211512
• Mol file: 62471-42-5.mol

Synonyms:3-Pyridinecarboxylic acid, 2-amino-2-methylpropyl ester, dihydrochloride;62471-42-5;C10H14N2O2.2ClH;SCHEMBL11552692;DTXSID40211512;LS-130719

Chemical Property of 3-Pyridinecarboxylic acid, 2-amino-2-methylpropyl ester, dihydrochloride

Chemical Property:

• Vapor Pressure: 0.0012mmHg at 25°C
• Boiling Point: 299.3°Cat760mmHg
• Flash Point: 134.8°C
• Density: g/cm³
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 266.0588831
• Heavy Atom Count: 16
• Complexity: 204

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(COC(=O)C1=CN=CC=C1)N.Cl.Cl

Technology Process of 3-Pyridinecarboxylic acid, 2-amino-2-methylpropyl ester, dihydrochloride

There total 3 articles about 3-Pyridinecarboxylic acid, 2-amino-2-methylpropyl ester, dihydrochloride 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: 45.0%

pyridine-3-carbonyl chloride hydrochloride (20260-53-1) + 2-Amino-2-methyl-1-propanol (124-68-5) → 2-Amino-2-methyl-1-propyl nicotinate dihydrochloride (62471-42-5)

Guidance literature:

With hydrogenchloride; In 1,2-dichloro-ethane;

DOI:10.1248/cpb.31.4116

Reference yield:

N-(2-hydroxy-1,1-dimethyl-ethyl)-nicotinamide (62471-44-7) → 2-Amino-2-methyl-1-propyl nicotinate dihydrochloride (62471-42-5)

Guidance literature:

In hydrogenchloride; calcium sulfate; ethanol;

Reference yield:

3-pyridinecarboxylic acid ethyl ester (614-18-6) → 2-Amino-2-methyl-1-propyl nicotinate dihydrochloride (62471-42-5)

Guidance literature:

Multi-step reaction with 2 steps

2: hydrogenchloride; calcium sulfate; ethanol

In hydrogenchloride; calcium sulfate; ethanol;

upstream raw materials:

pyridine-3-carbonyl chloride hydrochloride

2-Amino-2-methyl-1-propanol

N-(2-hydroxy-1,1-dimethyl-ethyl)-nicotinamide

3-pyridinecarboxylic acid ethyl ester

Refernces

• 1、 -. "Certain chloroamino esters of pyridine carboxylates and derivatives thereof". . . Retrieved 2008/06/13.