tert-Butyl 4-(prop-2-yn-1-yl)piperazine-1-carboxylate

Base Information

• Chemical Name: tert-Butyl 4-(prop-2-yn-1-yl)piperazine-1-carboxylate
• CAS No.: 199538-99-3
• Molecular Formula: C12H20N2O2
• Molecular Weight: 224.303
• Hs Code.: 2933599090
• European Community (EC) Number: 825-566-3
• DSSTox Substance ID: DTXSID10461269
• Mol file: 199538-99-3.mol

Synonyms:199538-99-3;tert-Butyl 4-(prop-2-yn-1-yl)piperazine-1-carboxylate;Tert-butyl 4-prop-2-ynylpiperazine-1-carboxylate;MFCD04039721;1-(tert-Butoxycarbonyl)-4-(2-propynyl)piperazine;tert-Butyl 4-(prop-2-ynyl)piperazine-1-carboxylate;1-Piperazinecarboxylic acid, 4-(2-propyn-1-yl)-, 1,1-dimethylethyl ester;4-PROP-2-YNYL-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER;tert-butyl 4-propargylpiperazine-1-carboxylate;SCHEMBL113614;tert-Butyl4-(prop-2-yn-1-yl)piperazine-1-carboxylate;DTXSID10461269;1-Boc-4-(2-propynyl)piperazine;OAXARSVKYJPDPA-UHFFFAOYSA-N;ZHA53899;1-Boc-4-(2-propyn-1-yl)piperazine;AKOS010190914;AB17386;AT25959;AC-31432;SY217953;B5206;CS-0127762;FT-0707334;EN300-311641;A925586;t-butyl 4-(prop-2-yn-1-yl)piperazine-1-carboxylate;4-propargylpiperazine-1-carboxylic acid tert-butyl ester;Z645823022;4-Prop-2-ynyl-piperazine1-carboxylic acid tert-butyl ester;4-(2-propynyl)-1-piperazinecarboxylic acid tert-butyl ester;bicyclo[2.2.2]oct-7-ene-2,3,5,6-tetracarboxylicdianhydride

Chemical Property of tert-Butyl 4-(prop-2-yn-1-yl)piperazine-1-carboxylate

Chemical Property:

• Vapor Pressure: 0.00179mmHg at 25°C
• Boiling Point: 292.8oC at 760 mmHg
• Flash Point: 130.9oC
• PSA: 32.78000
• Density: 1.05g/cm3
• LogP: 1.04810
• Storage Temp.: 2-8°C
• XLogP3: 1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 224.152477885
• Heavy Atom Count: 16
• Complexity: 290

Purity/Quality:

97% ^*data from raw suppliers

1-Boc-4-(2-propyn-1-yl)piperazine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)N1CCN(CC1)CC#C

Technology Process of tert-Butyl 4-(prop-2-yn-1-yl)piperazine-1-carboxylate

There total 5 articles about tert-Butyl 4-(prop-2-yn-1-yl)piperazine-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: 96.0%

propargyl bromide (106-96-7) + 1-t-Butoxycarbonylpiperazine (57260-71-6) → tert-butyl 4-(prop-2-yn-1-yl)piperazine-1-carboxylate (199538-99-3)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In acetonitrile; for 2h;

Reference yield: 85.0%

1-(1,1-dimethylethoxycarbonyl)piperazine hydrochloride + propargyl bromide (106-96-7) → tert-butyl 4-(prop-2-yn-1-yl)piperazine-1-carboxylate (199538-99-3)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In acetonitrile; at 25 ℃; for 2h;

Reference yield:

propargyl bromide (106-96-7) → tert-butyl 4-(prop-2-yn-1-yl)piperazine-1-carboxylate (199538-99-3)

Guidance literature:

1-t-Butoxycarbonylpiperazine; With sodium carbonate; In acetonitrile; for 0.333333h;

propargyl bromide; In acetonitrile; at 50 ℃; Product distribution / selectivity;

upstream raw materials:

propargyl bromide

1-t-Butoxycarbonylpiperazine

di-tert-butyl dicarbonate

Downstream raw materials:

(S)-methyl 3-phenyl-2-(4-(prop-2-yn-1-yl)piperazine-1-carboxamido)propanoate

(S)-3-phenyl-2-(4-(prop-2-yn-1-yl)piperazine-1-carboxamido)propanoic acid hydrochloride

N-((S)-1-oxo-3-phenyl-1-(((S,E)-5-phenyl-1-(phenylsulfonyl)pent-1-en-3-yl)amino)propan-2-yl)-4-(prop-2-yn-1-yl)piperazine-1-carboxamide