(S)-tert-butyl 2-(2-hydroxyethyl)piperazine-1-carboxylate

Base Information

• Chemical Name: (S)-tert-butyl 2-(2-hydroxyethyl)piperazine-1-carboxylate
• CAS No.: 169448-17-3
• Molecular Formula: C₁₁H₂₂N₂O₃
• Molecular Weight: 230.307
• Hs Code.: 2933599090
• DSSTox Substance ID: DTXSID80476441
• Mol file: 169448-17-3.mol

Synonyms:(S)-tert-butyl 2-(2-hydroxyethyl)piperazine-1-carboxylate;169448-17-3;TERT-BUTYL (2S)-2-(2-HYDROXYETHYL)PIPERAZINE-1-CARBOXYLATE;(S)-tert-Butyl 2-(2-hydroxyethyl)-piperazine-1-carboxylate;SCHEMBL4856306;DTXSID80476441;OOZBHDCFUFVAOH-VIFPVBQESA-N;MFCD10566720;AKOS015841649;AKOS015910179;AS-70329;CS-0055456;P10921;1-tert-butoxycarbonyl-2(S)-(2-hydroxyethyl)piperazine;(S)-2-(2-hydroxy-ethyl)-piperazine-1-carboxylic acid tert-butyl ester;(S)-2-(hydroxy-ethyl)-piperazine-1-carboxylic acid, tert-butyl ester;1-Piperazinecarboxylicacid,2-(2-hydroxyethyl)-,1,1-dimethylethyl ester,(2S)-

Chemical Property of (S)-tert-butyl 2-(2-hydroxyethyl)piperazine-1-carboxylate

Chemical Property:

• Vapor Pressure: 6.34E-06mmHg at 25°C
• Boiling Point: 339.1oC at 760 mmHg
• PKA: 15.11±0.10(Predicted)
• Flash Point: 158.9oC
• PSA: 61.80000
• Density: 1.067g/cm3
• 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:

97% ^*data from raw suppliers

(S)-tert-Butyl2-(2-hydroxyethyl)-piperazine-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)N1CCNCC1CCO
• Isomeric SMILES: CC(C)(C)OC(=O)N1CCNC[C@@H]1CCO

Technology Process of (S)-tert-butyl 2-(2-hydroxyethyl)piperazine-1-carboxylate

There total 6 articles about (S)-tert-butyl 2-(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: 100.0%

tert-butyl (2S)-4-benzyl-2-(2-hydroxyethyl)piperazine-1-carboxylate (169447-92-1) → tert-butyl (2S)-2-(2-hydroxyethyl)piperazine-1-carboxylate (169448-17-3,517866-79-4)

Guidance literature:

With hydrogen; palladium on activated charcoal; In methanol; for 16h;

DOI:10.1021/jm9508090

Reference yield: 100.0%

→ tert-butyl (2S)-2-(2-hydroxyethyl)piperazine-1-carboxylate (169448-17-3,517866-79-4)

Guidance literature:

Reference yield:

di-tert-butyl dicarbonate (24424-99-5) → tert-butyl (2S)-2-(2-hydroxyethyl)piperazine-1-carboxylate (169448-17-3,517866-79-4)

Guidance literature:

Multi-step reaction with 2 steps

1: CH₂Cl₂ / 2 h

2: 100 percent / H₂ / 10percent Pd/C / methanol / 16 h

With hydrogen; palladium on activated charcoal; In methanol; dichloromethane;

DOI:10.1021/jm9508090

upstream raw materials:

tert-butyl (2S)-4-benzyl-2-(2-hydroxyethyl)piperazine-1-carboxylate

di-tert-butyl dicarbonate

2-[(2S)-4-benzylpiperazin-2-yl]ethanol

benzyl 2-[(2S)-4-benzyl-3,6-dioxopiperazin-2-yl]acetate

Downstream raw materials:

(S)-2-[2-(tert-butyl-dimethyl-silyloxy)-ethyl]-4-[2-(3-fluoro-2-methyl-benzyl)-1-phenyl-indolizine-3-carbonyl]-piperazine-1-carboxylic acid tert-butyl ester

(S)-4-[2-(3-fluoro-2-methyl-benzyl)-1-phenyl-indolizine-3-carbonyl]-2-(2-hydroxy-ethyl)-piperazine-1-carboxylic acid tert-butyl ester

2-{(S)-4-[2-(3-fluoro-2-methyl-benzyl)-1-phenyl-indolizine-3-carbonyl]-piperazin-2-yl}-N-(tetrahydropyran-4-ylmethyl)-acetamide hydrochloride

(S)-4-[2-(3-fluoro-2-methyl-benzyl)-1-phenyl-indolizine-3-carbonyl]-2-(2-oxo-ethyl)-piperazine-1-carboxylic acid tert-butyl ester

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