Methyl 5-(boc-amino)-2-chloropyridine-4-carboxylate

Base Information

• Chemical Name: Methyl 5-(boc-amino)-2-chloropyridine-4-carboxylate
• CAS No.: 305371-42-0
• Molecular Formula: C12H15ClN2O4
• Molecular Weight: 286.715
• Hs Code.: 2933399090
• European Community (EC) Number: 879-025-1
• Mol file: 305371-42-0.mol

Synonyms:305371-42-0;METHYL 5-(BOC-AMINO)-2-CHLOROPYRIDINE-4-CARBOXYLATE;methyl 5-{[(tert-butoxy)carbonyl]amino}-2-chloropyridine-4-carboxylate;Methyl 5-((tert-butoxycarbonyl)amino)-2-chloroisonicotinate;methyl 2-chloro-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-4-carboxylate;SCHEMBL2770021;JYUMVTMXTSYJOG-UHFFFAOYSA-N;MFCD16036620;AKOS025290832;PB33250;AS-33741;CS-0049017;A876154;Methyl5-((tert-butoxycarbonyl)amino)-2-chloroisonicotinate;5-tert-butoxycarbonylamino-2-chloro-isonicotinic acid, methyl ester;4-Pyridinecarboxylic acid, 2-chloro-5-[[(1,1-dimethylethoxy)carbonyl]amino]-, methyl ester

Chemical Property of Methyl 5-(boc-amino)-2-chloropyridine-4-carboxylate

Chemical Property:

• Boiling Point: 357.4±42.0 °C(Predicted)
• PKA: 11.45±0.70(Predicted)
• PSA: 81.01000
• Density: 1.294±0.06 g/cm3(Predicted)
• LogP: 2.88220
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 286.0720347
• Heavy Atom Count: 19
• Complexity: 343

Purity/Quality:

97% ^*data from raw suppliers

Methyl 5-{[(tert-butoxy)carbonyl]amino}-2-chloropyridine-4-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)NC1=CN=C(C=C1C(=O)OC)Cl

Technology Process of Methyl 5-(boc-amino)-2-chloropyridine-4-carboxylate

There total 7 articles about Methyl 5-(boc-amino)-2-chloropyridine-4-carboxylate 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: 100.0%

5-[N-(tert-butoxycarbonyl)amino]-2-chloropyridine-4-carboxylic acid (171178-46-4) + diazomethyl-trimethyl-silane (18107-18-1) → 5-tert-butoxycarbonylamino-2-chloro-isonicotinic acid, methyl ester (305371-42-0)

Guidance literature:

With hydrogen; nickel; In methanol; hexane; chloroform; at 20 ℃; for 2h;

Reference yield: 100.0%

methanol (67-56-1) + 5-[N-(tert-butoxycarbonyl)amino]-2-chloropyridine-4-carboxylic acid (171178-46-4) → 5-tert-butoxycarbonylamino-2-chloro-isonicotinic acid, methyl ester (305371-42-0)

Guidance literature:

methanol; 5-[N-(tert-butoxycarbonyl)amino]-2-chloropyridine-4-carboxylic acid; In tetrahydrofuran; at 0 - 50 ℃;

With diazomethyl-trimethyl-silane; In tetrahydrofuran; at 0 - 20 ℃;

Reference yield: 100.0%

trimethylsilyl diazomethane + 5-[N-(tert-butoxycarbonyl)amino]-2-chloropyridine-4-carboxylic acid (171178-46-4) → 5-tert-butoxycarbonylamino-2-chloro-isonicotinic acid, methyl ester (305371-42-0)

Guidance literature:

In methanol; chloroform; at 0 - 20 ℃; for 2h;

upstream raw materials:

5-[N-(tert-butoxycarbonyl)amino]-2-chloropyridine-4-carboxylic acid

diazomethyl-trimethyl-silane

methanol

6-Chloro-pyridin-3-ylamine

Downstream raw materials:

[6-fluoro-4-(3-nitrilo-propionyl)-pyridin-3-yl]-carbamic acid, tert-butyl ester

methyl 5-{(tert-butoxy)-N-[(4-methoxyphenyl)methyl]carbonylamino}-2-chloropyridine-4-carboxylate

methyl 5-amino-2-chloroisonicotinate