(R)-tert-Butyl 3-carbamoylpiperazine-1-carboxylate

Base Information

• Chemical Name: (R)-tert-Butyl 3-carbamoylpiperazine-1-carboxylate
• CAS No.: 170164-46-2
• Molecular Formula: C₁₀H₁₉N₃O₃
• Molecular Weight: 229.279
• DSSTox Substance ID: DTXSID10440019
• Wikidata: Q72434134
• Mol file: 170164-46-2.mol

Synonyms:170164-46-2;(R)-tert-Butyl 3-carbamoylpiperazine-1-carboxylate;(R)-1-Boc-Piperazine-3-amide;tert-butyl (3R)-3-Carbamoylpiperazine-1-carboxylate;1-Piperidinecarboxylic acid, 3-(aMinocarbonyl)-, 1,1-diMethylethyl ester, (3R)-;(R)-tert-Butyl3-carbamoylpiperazine-1-carboxylate;SCHEMBL18129961;DTXSID10440019;MFCD03094732;AKOS016006290;CS-0210882;tert-butyl (R)-3-carbamoylpiperazine-1-carboxylate;1-Piperazinecarboxylic acid, 3-(aminocarbonyl)-, 1,1-dimethylethyl ester, (R)-

Chemical Property of (R)-tert-Butyl 3-carbamoylpiperazine-1-carboxylate

Chemical Property:

• Boiling Point: 404.3±40.0 °C(Predicted)
• PKA: 16.43±0.20(Predicted)
• PSA: 85.65000
• Density: 1.151±0.06 g/cm3(Predicted)
• LogP: 1.09700
• Storage Temp.: Keep in dark place,Sealed in dry,Store in freezer, under -20°C
• XLogP3: -0.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 229.14264148
• Heavy Atom Count: 16
• Complexity: 286

Purity/Quality:

97% ^*data from raw suppliers

(R)-tert-Butyl3-carbamoylpiperazine-1-carboxylate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)N1CCNC(C1)C(=O)N
• Isomeric SMILES: CC(C)(C)OC(=O)N1CCN[C@H](C1)C(=O)N

Technology Process of (R)-tert-Butyl 3-carbamoylpiperazine-1-carboxylate

There total 1 articles about (R)-tert-Butyl 3-carbamoylpiperazine-1-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:

di-tert-butyl dicarbonate (24424-99-5) + (S)-(-)-Piperazine-2-carboxamide (159572-93-7) → 3S-(+)-1,1-dimethylethyl 3-aminocarbonyl-1-piperazinecarboxylate (170164-47-3) + 3R-(-)-1,1-dimethylethyl 3-aminocarbonyl-1-piperazinecarboxylate (170164-46-2)

Guidance literature:

In methanol; for 1h; Yield given. Yields of byproduct given. Title compound not separated from byproducts; Ambient temperature;

DOI:10.1080/00397919508011814

Reference yield:

3R-(-)-1,1-dimethylethyl 3-aminocarbonyl-1-piperazinecarboxylate (170164-46-2) → 2S-(-)-1,1-dimethylethyl 3-aminocarbonyl-4-<<<(4-amino-2,6-dichlorophenyl)amino>carbonyl>methyl>-1-piperazinecarboxylate (166520-16-7)

Guidance literature:

Multi-step reaction with 2 steps

1: Et₃N / dimethylformamide / 1.5 h

2: H₂, thiophene / 5percent Pt/C / methanol / 3 h / 50 °C / 2585.7 Torr

With thiophene; hydrogen; triethylamine; platinum on activated charcoal; In methanol; N,N-dimethyl-formamide;

DOI:10.1080/00397919508011814

Reference yield:

3R-(-)-1,1-dimethylethyl 3-aminocarbonyl-1-piperazinecarboxylate (170164-46-2) → 2S-(-)-2-aminocarbonyl-N-(4-amino-2,6-dichlorophenyl)-1-piperazineacetamide trihydrochloride

Guidance literature:

Multi-step reaction with 3 steps

1: Et₃N / dimethylformamide / 1.5 h

2: H₂, thiophene / 5percent Pt/C / methanol / 3 h / 50 °C / 2585.7 Torr

3: 90 percent / etheral HCl / methanol / 4 h / 0 °C

With thiophene; hydrogenchloride; hydrogen; triethylamine; platinum on activated charcoal; In methanol; N,N-dimethyl-formamide;

DOI:10.1080/00397919508011814

upstream raw materials:

di-tert-butyl dicarbonate

(S)-(-)-Piperazine-2-carboxamide

Downstream raw materials:

3R-(+)-1,1-dimethylethyl 3-aminocarbonyl-4-<<<(4-nitro-2,6-dichlorophenyl)amino>carbonyl>methyl>-1-piperazinecarboxylate

3S-(-)-1,1-dimethylethyl 3-aminocarbonyl-4-<<<(4-nitro-2,6-dichlorophenyl)amino>carbonyl>methyl>-1-piperazinecarboxylate

2S-(-)-1,1-dimethylethyl 3-aminocarbonyl-4-<<<(4-amino-2,6-dichlorophenyl)amino>carbonyl>methyl>-1-piperazinecarboxylate