1-(tert-Butoxycarbonyl)-4-((tert-butoxycarbonyl)amino)piperidine-4-carboxylic acid

Base Information

• Chemical Name: 1-(tert-Butoxycarbonyl)-4-((tert-butoxycarbonyl)amino)piperidine-4-carboxylic acid
• CAS No.: 189321-65-1
• Molecular Formula: C16H28N2O6
• Molecular Weight: 344.408
• Hs Code.: 29225000
• DSSTox Substance ID: DTXSID30361474
• Wikidata: Q82143817
• Mol file: 189321-65-1.mol

Synonyms:189321-65-1;1-Boc-4-(Boc-amino)piperidine-4-carboxylic Acid;1-(tert-Butoxycarbonyl)-4-((tert-butoxycarbonyl)amino)piperidine-4-carboxylic acid;n-boc-amino-(4-n-boc-piperidinyl)carboxylic acid;1-Boc-(4-N-Boc-amino)piperidine-4-carboxylic acid;1-[(2-methylpropan-2-yl)oxycarbonyl]-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-4-carboxylic acid;4-tert-butoxycarbonylamino-piperidine-1,4-dicarboxylic acid mono-tert-butyl ester;MFCD02683116;1-[(tert-butoxy)carbonyl]-4-{[(tert-butoxy)carbonyl]amino}piperidine-4-carboxylic acid;1-(tert-butoxycarbonyl)-4-(tert-butoxycarbonylamino)piperidine-4-carboxylic acid;4-n-boc-amino-(4n-boc-piperidinyl)-4-carboxylic acid;1-(tert-Butoxycarbonyl)-4-[(tert-butoxycarbonyl)amino]piperidine-4-carboxylic acid;SCHEMBL391708;DTXSID30361474;AMY34570;BCP27741;AKOS015912405;AB12333;AC-7229;CS-W002965;AS-36863;SY005261;FT-0652059;EN300-1071037;1-Boc-4-(Boc-Amino)-4-Piperidinecarboxylic Acid;1-Boc-(4-N-Boc-amino)piperidine-4 carboxylic acid;N-Boc-amino-(4-N-Boc-piperidinyl) carboxylic acid;1-[(BENZYLOXY)CARBONYL]-2-INDOLINECARBOXYLICACID;4-BOC-aminopiperidine-1,4-dicarboxylic acid tert-butyl ester;1-(tert-Butoxycarbonyl)-4-(tert-butoxycarbonylamino)-4-piperidinecarboxylic Acid;4-tert-butoxycarbonylamino-piperidine-1,4-dicarboxylic acid mono tert-butyl ester

Chemical Property of 1-(tert-Butoxycarbonyl)-4-((tert-butoxycarbonyl)amino)piperidine-4-carboxylic acid

Chemical Property:

• Vapor Pressure: 1.22E-10mmHg at 25°C
• Refractive Index: 1.5290 (estimate)
• Boiling Point: 482.6 °C at 760 mmHg
• PKA: 3.87±0.20(Predicted)
• Flash Point: 245.7 °C
• PSA: 105.17000
• Density: 1.18 g/cm³
• LogP: 2.69420
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 344.19473662
• Heavy Atom Count: 24
• Complexity: 496

Purity/Quality:

97% ^*data from raw suppliers

1-Boc-4-(Boc-amino)piperidine-4-carboxylicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 37/39-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)NC1(CCN(CC1)C(=O)OC(C)(C)C)C(=O)O

Technology Process of 1-(tert-Butoxycarbonyl)-4-((tert-butoxycarbonyl)amino)piperidine-4-carboxylic acid

There total 2 articles about 1-(tert-Butoxycarbonyl)-4-((tert-butoxycarbonyl)amino)piperidine-4-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: 78.0%

1-(tert-butyl) 4-methyl 4-((tert-butoxycarbonyl)amino)piperidine-1,4-dicarboxylate (1143534-94-4) → 1-(tert-butoxycarbonyl)-4-((tert-butoxycarbonyl)amino)piperidine-4-carboxylic acid (189321-65-1)

Guidance literature:

1-(tert-butyl) 4-methyl 4-((tert-butoxycarbonyl)amino)piperidine-1,4-dicarboxylate; With lithium hydroxide; water; In tetrahydrofuran; methanol; at 20 ℃; for 24h;

With citric acid; In water; pH=5;

Reference yield: 59.0%

di-tert-butyl dicarbonate (24424-99-5) + 4-amino-1-(tert-butoxycarbonyl)piperidine-4-carboxylic acid (183673-71-4) → 1-(tert-butoxycarbonyl)-4-((tert-butoxycarbonyl)amino)piperidine-4-carboxylic acid (189321-65-1)

Guidance literature:

di-tert-butyl dicarbonate; 4-amino-1-(tert-butoxycarbonyl)piperidine-4-carboxylic acid; With sodium hydroxide; In water; tert-butyl alcohol; at 20 ℃; for 18h;

With hydrogenchloride; In water; pH=2;

Reference yield: 100.0%

2-bromophenyl methyl ketone (2142-69-0) + 1-(tert-butoxycarbonyl)-4-((tert-butoxycarbonyl)amino)piperidine-4-carboxylic acid (189321-65-1) → 4-tert-butoxycarbonylamino-4-(5-phenyl-1H-imidazol-2-yl)-piperidine-1-carboxylic acid tert-butyl ester (1035389-11-7)

Guidance literature:

1-(tert-butoxycarbonyl)-4-((tert-butoxycarbonyl)amino)piperidine-4-carboxylic acid; With caesium carbonate; In methanol; for 2h;

2-bromophenyl methyl ketone; In N,N-dimethyl-formamide; for 2h;

With ammonium acetate; In xylenes; at 20 - 135 ℃; for 52h;

upstream raw materials:

1-(tert-butyl) 4-methyl 4-((tert-butoxycarbonyl)amino)piperidine-1,4-dicarboxylate

di-tert-butyl dicarbonate

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

Downstream raw materials:

4-tert-butoxycarbonylamino-4-(4-methoxy-benzylcarbamoyl)-piperidine-1-carboxylic acid tert-butyl ester

4-tert-butoxycarbonylamino-4-(5-phenyl-1H-imidazol-2-yl)-piperidine-1-carboxylic acid tert-butyl ester

tert-butyl 4-(2-amino-4-(4-methylpiperazin-1-yl)phenylcarbamoyl)-4-(tert-butoxycarbonylamino)piperidine-1-carboxylate

tert-butyl 4-(2-amino-5-chloro-3-methylphenylcarbamoyl)-4-(tert-butoxycarbonylamino)piperidine-1-carboxylate e