tert-butyl 3-(2-Hydroxyethyl)piperazine-1-carboxylate

Base Information

• Chemical Name: tert-butyl 3-(2-Hydroxyethyl)piperazine-1-carboxylate
• CAS No.: 1188265-73-7
• Molecular Formula: C11H22N2O3
• Molecular Weight: 230.307
• Hs Code.: 2933599090
• DSSTox Substance ID: DTXSID80695993
• Mol file: 1188265-73-7.mol

Synonyms:tert-butyl 3-(2-Hydroxyethyl)piperazine-1-carboxylate;1188265-73-7;3-(2-HYDROXY-ETHYL)-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER;MFCD18633591;SCHEMBL14720039;DTXSID80695993;FPQSSQQQKLJLPA-UHFFFAOYSA-N;MFCD13152268;AKOS016002830;(R)-2-(4-Boc-2-piperazinyl)ethanol;SB31598;SB46516;SB46689;s10999;AS-61454;SY269219;CS-0079657;FT-0767639;EN300-251538;A905637;t-Butyl 3-(2-hydroxyethyl)piperazine-1-carboxylate

Chemical Property of tert-butyl 3-(2-Hydroxyethyl)piperazine-1-carboxylate

Chemical Property:

• Boiling Point: 352.2±22.0 °C(Predicted)
• PKA: 15.11±0.10(Predicted)
• PSA: 61.80000
• Density: 1.067±0.06 g/cm3(Predicted)
• LogP: 0.84440
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 230.16304257
• Heavy Atom Count: 16
• Complexity: 238

Purity/Quality:

98%min ^*data from raw suppliers

3-(2-Hydroxy-ethyl)-piperazine-1-carboxylicacidtert-butylester 97% ^*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)CCO

Technology Process of tert-butyl 3-(2-Hydroxyethyl)piperazine-1-carboxylate

There total 1 articles about tert-butyl 3-(2-Hydroxyethyl)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: 93.0%

3-(methoxycarbonylmethyl)piperazine-1-carboxylic acid tert-butyl ester (183742-33-8,1217683-44-7) → 3-(2-hydroxy-ethyl)-piperazine-1-carboxylic acid tert-butyl ester (1188265-73-7)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; at 0 ℃; for 1h; Inert atmosphere;

DOI:10.1021/acs.jmedchem.9b01720

Reference yield: 99.0%

phenyl N-(4-chloro-3-fluoro-phenyl)carbamate (1229603-46-6) + 3-(2-hydroxy-ethyl)-piperazine-1-carboxylic acid tert-butyl ester (1188265-73-7) → N-(4-chloro-3-fluorophenyl)-2-(2-hydroxyethyl)piperazine-1-carboxamide

Guidance literature:

phenyl N-(4-chloro-3-fluoro-phenyl)carbamate; 3-(2-hydroxy-ethyl)-piperazine-1-carboxylic acid tert-butyl ester; With triethylamine; In ethanol; at 100 ℃; for 0.116667h;

With trifluoroacetic acid; In dichloromethane; at 50 ℃; for 0.5h; Inert atmosphere;

upstream raw materials:

3-(methoxycarbonylmethyl)piperazine-1-carboxylic acid tert-butyl ester

Refernces

• 1、 -. "INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL". Paragraph 0137. . Retrieved 2016/10/06.
• 2、 -. "INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL". Page/Page column 51. . Retrieved 2013/07/05.