6-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]pyridine-3-carboxylic Acid

Base Information

• Chemical Name: 6-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]pyridine-3-carboxylic Acid
• CAS No.: 904815-08-3
• Molecular Formula: C₁₃H₁₉N₃O₄
• Molecular Weight: 281.312
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID20378112
• Wikidata: Q82167603
• Mol file: 904815-08-3.mol

Synonyms:904815-08-3;6-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]pyridine-3-carboxylic Acid;6-(2-TERT-BUTOXYCARBONYLAMINO-ETHYLAMINO)-NICOTINIC ACID;6-[(2-{[(tert-butoxy)carbonyl]amino}ethyl)amino]pyridine-3-carboxylic acid;6-(Aminoethylamino)nicotinic acid, N2-BOC protected;MFCD06245544;6-((2-((tert-Butoxycarbonyl)amino)ethyl)amino)nicotinic acid;6-({2-[(tert-Butoxycarbonyl)amino]ethyl}amino)nicotinic acid;SCHEMBL3553610;DTXSID20378112;AKOS005257475;PS-7227;SB55055;6-((2-((tert-Butoxycarbonyl)amino)ethyl)amino)nicotinicacid

Chemical Property of 6-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]pyridine-3-carboxylic Acid

Chemical Property:

• Vapor Pressure: 5.64E-11mmHg at 25°C
• Boiling Point: 503.9°C at 760 mmHg
• Flash Point: 258.6°C
• PSA: 100.55000
• Density: 1.244g/cm³
• LogP: 2.18030
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 7
• Exact Mass: 281.13755610
• Heavy Atom Count: 20
• Complexity: 341

Purity/Quality:

98% ^*data from raw suppliers

6-(Aminoethylamino)nicotinic acid, N2-Boc protected ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)NCCNC1=NC=C(C=C1)C(=O)O

Technology Process of 6-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]pyridine-3-carboxylic Acid

There total 1 articles about 6-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]pyridine-3-carboxylic Acid 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: 25.7%

di-tert-butyl dicarbonate (24424-99-5) + 6-[(2-aminoethyl)amino]pyridine-3-carboxylic acid (904815-02-7) → 6-({2-[(tert-butoxycarbonyl)amino]ethyl}amino)pyridine-3-carboxylic acid (904815-08-3)

Guidance literature:

With triethylamine; In methanol; at 20 ℃; for 16h;

Reference yield:

6-({2-[(tert-butoxycarbonyl)amino]ethyl}amino)pyridine-3-carboxylic acid (904815-08-3) + 5-[3-(cyclopropyloxy)phenyl]pyridin-2-amine → 2-[(2-aminoethyl)amino]-N-[5-(3-cyclopropyloxyphenyl)pyridin-2-yl]pyrimidine-5-carboxamide

Guidance literature:

Multi-step reaction with 2 steps

1: 2-chloro-1-methyl-pyridinium iodide; N-ethyl-N,N-diisopropylamine / tetrahydrofuran / 16 h / 20 °C

2: hydrogenchloride / 1,4-dioxane / 1 h / 20 °C

With hydrogenchloride; 2-chloro-1-methyl-pyridinium iodide; N-ethyl-N,N-diisopropylamine; In tetrahydrofuran; 1,4-dioxane;

Reference yield:

6-({2-[(tert-butoxycarbonyl)amino]ethyl}amino)pyridine-3-carboxylic acid (904815-08-3) + 5-(3-cyclopropylphenyl)pyridin-2-amine → 2-[(2-aminoethyl)amino]-N-[5-(3-cyclopropylphenyl)pyridin-2-yl]pyridine-5-carboxamide

Guidance literature:

Multi-step reaction with 2 steps

1: 2-chloro-1-methyl-pyridinium iodide; N-ethyl-N,N-diisopropylamine / tetrahydrofuran / 16 h / 20 °C

2: hydrogenchloride / 1,4-dioxane / 1 h / 20 °C

With hydrogenchloride; 2-chloro-1-methyl-pyridinium iodide; N-ethyl-N,N-diisopropylamine; In tetrahydrofuran; 1,4-dioxane;

upstream raw materials:

di-tert-butyl dicarbonate

6-[(2-aminoethyl)amino]pyridine-3-carboxylic acid

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