Methyl 4-((tert-butoxycarbonyl)amino)piperidine-4-carboxylate

Base Information

• Chemical Name: Methyl 4-((tert-butoxycarbonyl)amino)piperidine-4-carboxylate
• CAS No.: 115655-44-2
• Molecular Formula: C₁₂H₂₂N₂O₄
• Molecular Weight: 258.318
• Hs Code.: 2933399090
• European Community (EC) Number: 675-924-6
• DSSTox Substance ID: DTXSID00561424
• Wikidata: Q72509954
• Mol file: 115655-44-2.mol

Synonyms:115655-44-2;Methyl 4-((tert-butoxycarbonyl)amino)piperidine-4-carboxylate;4-n-boc-amino-piperidine-4-carboxylic acid methyl ester;METHYL 4-(BOC-AMINO)PIPERIDINE-4-CARBOXYLATE;Methyl 4-N-Boc-aminopiperidine-4-carboxylate;4-n-boc-amino-isonipecotic acid methyl ester;methyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-4-carboxylate;methyl 4-[(tert-butoxycarbonyl)amino]piperidine-4-carboxylate;MFCD06796557;methyl 4-{[(tert-butoxy)carbonyl]amino}piperidine-4-carboxylate;METHYL 4-(TERT-BUTOXYCARBONYLAMINO)PIPERIDINE-4-CARBOXYLATE;4-PIPERIDINECARBOXYLIC ACID, 4-[[(1,1-DIMETHYLETHOXY)CARBONYL]AMINO]-, METHYL ESTER;4-tert-butoxycarbonylamino-piperidine-4-carboxylic acid methyl ester;SCHEMBL387928;AMY3793;DTXSID00561424;XWBFIPVPQLAHMA-UHFFFAOYSA-N;AKOS015919952;AC-9189;CS-W003339;PB34175;DS-12759;SY019885;A13670;EN300-1068421;A803469;A893842;methyl 4-(tert-butoxycarbonyl)piperidine-4-carboxylate;4-(tert-butyloxycarbonylamino)-4-carbomethoxy-piperidine;4-[(tert-butyloxycarbonyl)amino]-4-(methoxycarbonyl)piperidine;methyl 4-(tert-butoxycarbonyl-amino)piperidine-4-carboxylate;methyl 4-(tert-butoxycarbonylamino)-piperidine-4-carboxylate;Methyl4-((tert-butoxycarbonyl)amino)piperidine-4-carboxylate;methyl 4-({[(1,1-dimethylethyl)oxy]carbonyl}amino)-4-piperidinecarboxylate;4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-piperidinecarboxylic acid methyl ester;4-N-BOC-AMINO-ISONIPECOTIC ACID METHYL ESTER

Chemical Property of Methyl 4-((tert-butoxycarbonyl)amino)piperidine-4-carboxylate

Chemical Property:

• Vapor Pressure: 2.52E-05mmHg at 25°C
• Refractive Index: 1.488
• Boiling Point: 358.6 °C at 760 mmHg
• PKA: 10.51±0.20(Predicted)
• Flash Point: 170.7 °C
• PSA: 76.66000
• Density: 1.11 g/cm³
• LogP: 1.52600
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 258.15795719
• Heavy Atom Count: 18
• Complexity: 317

Purity/Quality:

97% ^*data from raw suppliers

4-N-Boc-Amino-piperidine-4-carboxylicAcidMethylEster ^*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(CCNCC1)C(=O)OC
• Uses: 4-n-boc-amino-piperidine-4-carboxylic acid methyl ester is a useful research chemical.

Technology Process of Methyl 4-((tert-butoxycarbonyl)amino)piperidine-4-carboxylate

There total 2 articles about Methyl 4-((tert-butoxycarbonyl)amino)piperidine-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%

1-benzyl 4-methyl 4-((tert-butoxycarbonyl)amino)piperidine-1,4-dicarboxylate → 4-[(tert-butyloxycarbonyl)amino]-4-(methoxycarbonyl)piperidine (115655-44-2)

Guidance literature:

palladium dihydroxide; In methanol; water;

Reference yield:

1-((benzyloxy)carbonyl)-4-((tert-butoxycarbonyl)amino)piperidine-4-carboxylic acid (252720-32-4) → 4-[(tert-butyloxycarbonyl)amino]-4-(methoxycarbonyl)piperidine (115655-44-2)

Guidance literature:

Multi-step reaction with 2 steps

1.1: caesium carbonate / acetonitrile / 0.17 h / Cooling with ice

1.2: 1 h / 20 °C

2.1: hydrogen / palladium 10% on activated carbon / methanol / 16 h / 20 °C

With hydrogen; caesium carbonate; palladium 10% on activated carbon; In methanol; acetonitrile;

Reference yield: 87.5%

4-[(tert-butyloxycarbonyl)amino]-4-(methoxycarbonyl)piperidine (115655-44-2) + C41H61N5O9 → C53H81N7O12

Guidance literature:

C₄₁H₆₁N₅O₉; With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In N,N-dimethyl-formamide; at 0 ℃; for 0.5h; Inert atmosphere;

4-[(tert-butyloxycarbonyl)amino]-4-(methoxycarbonyl)piperidine; With 4-methyl-morpholine; In N,N-dimethyl-formamide; at 0 - 20 ℃; Inert atmosphere;

upstream raw materials:

1-((benzyloxy)carbonyl)-4-((tert-butoxycarbonyl)amino)piperidine-4-carboxylic acid

Downstream raw materials:

4-amino-1-(5-methoxy-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)piperidine-4-carboxylic acid [(S)-1-(4-chloro-phenyl)-3-hydroxypropyl]amide

[4-[(S)-1-(4-chlorophenyl)-3-hydroxypropylcarbamoyl]-1-(5-methoxy-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)piperidin-4-yl]carbamic acid tert-butyl ester