Carbamicacid,[6-[[4-[[(1,1-dimethylethoxy)carbonyl]amino]-1-piperidinyl]methyl]-2-pyridinyl]-,1,1-dimethylethyl ester(9ci)

Base Information

• Chemical Name: Carbamicacid,[6-[[4-[[(1,1-dimethylethoxy)carbonyl]amino]-1-piperidinyl]methyl]-2-pyridinyl]-,1,1-dimethylethyl ester(9ci)
• CAS No.: 203321-87-3
• Molecular Formula: C₂₁H₃₄N₄O₄
• Molecular Weight: 406.525
• Mol file: 203321-87-3.mol

Synonyms:SCHEMBL7466823;Carbamicacid,[6-[[4-[[(1,1-dimethylethoxy)carbonyl]amino]-1-piperidinyl]methyl]-2-pyridinyl]-,1,1-dimethylethyl ester(9ci)

Chemical Property of Carbamicacid,[6-[[4-[[(1,1-dimethylethoxy)carbonyl]amino]-1-piperidinyl]methyl]-2-pyridinyl]-,1,1-dimethylethyl ester(9ci)

Chemical Property:

• PSA: 92.79000
• LogP: 4.31950
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 8
• Exact Mass: 406.25800558
• Heavy Atom Count: 29
• Complexity: 548

Purity/Quality:

99% ^*data from raw suppliers

4-TERT-BUTOXYCARBONYLAMINO-1-(6-TERT-BUTOXYCARBONYLAMINOPYRIDIN-2-YLMETHYL)PIPERIDINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)NC1CCN(CC1)CC2=NC(=CC=C2)NC(=O)OC(C)(C)C

Technology Process of Carbamicacid,[6-[[4-[[(1,1-dimethylethoxy)carbonyl]amino]-1-piperidinyl]methyl]-2-pyridinyl]-,1,1-dimethylethyl ester(9ci)

There total 4 articles about Carbamicacid,[6-[[4-[[(1,1-dimethylethoxy)carbonyl]amino]-1-piperidinyl]methyl]-2-pyridinyl]-,1,1-dimethylethyl ester(9ci) 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:

(piperidin-4-yl)carbamic acid tert-butyl ester (73874-95-0) + {6-[(tert-butoxycarbonyl)amino]pyridin-2-yl}-methyl methanesulfonate (203321-84-0) → 4-tert-butoxycarbonylamino-1-(6-tert-butoxycarbonylaminopyridin-2-ylmethyl)piperidine (203321-87-3)

Guidance literature:

With potassium carbonate; In acetonitrile; at 20 ℃; for 15h;

DOI:10.1021/jm0003135

Reference yield:

6-ethoxycarbonyl-2-pyridinecarboxylic acid (21855-16-3) → 4-tert-butoxycarbonylamino-1-(6-tert-butoxycarbonylaminopyridin-2-ylmethyl)piperidine (203321-87-3)

Guidance literature:

Multi-step reaction with 4 steps

1: 89 percent / diphenylphosphoryl azide; Et₃N / toluene / 20 h / 100 °C

2: 89 percent / CaCl₂; NaBH₄ / ethanol / 2 h / 0 °C

3: Et₃N / ethyl acetate / 0.25 h / 0 °C

4: K₂CO₃ / acetonitrile / 15 h / 20 °C

With sodium tetrahydroborate; diphenylphosphoranyl azide; potassium carbonate; triethylamine; calcium chloride; In ethanol; ethyl acetate; toluene; acetonitrile;

DOI:10.1021/jm0003135

Reference yield:

tert-butyl 6-(hydroxymethyl)-2-pyridinylcarbamate (203321-83-9) → 4-tert-butoxycarbonylamino-1-(6-tert-butoxycarbonylaminopyridin-2-ylmethyl)piperidine (203321-87-3)

Guidance literature:

Multi-step reaction with 2 steps

1: Et₃N / ethyl acetate / 0.25 h / 0 °C

2: K₂CO₃ / acetonitrile / 15 h / 20 °C

With potassium carbonate; triethylamine; In ethyl acetate; acetonitrile;

DOI:10.1021/jm0003135

upstream raw materials:

(piperidin-4-yl)carbamic acid tert-butyl ester

{6-[(tert-butoxycarbonyl)amino]pyridin-2-yl}-methyl methanesulfonate

6-ethoxycarbonyl-2-pyridinecarboxylic acid

tert-butyl 6-(hydroxymethyl)-2-pyridinylcarbamate