Tert-butyl 4-(3-amino-2-hydroxypropyl)piperazine-1-carboxylate

Base Information

• Chemical Name: Tert-butyl 4-(3-amino-2-hydroxypropyl)piperazine-1-carboxylate
• CAS No.: 811841-98-2
• Molecular Formula: C12H25 N3 O3
• Molecular Weight: 259.35
• Hs Code.: 2933599090
• European Community (EC) Number: 672-208-5
• DSSTox Substance ID: DTXSID00373342
• Mol file: 811841-98-2.mol

Synonyms:811841-98-2;tert-butyl 4-(3-amino-2-hydroxypropyl)piperazine-1-carboxylate;(+/-)-1-amino-3-n-(4'-boc-piperazinyl)-2-propanol;tert-Butyl4-(3-amino-2-hydroxypropyl)piperazine-1-carboxylate;SCHEMBL1554952;5-Methoxypyridine-2-boronicacid;DTXSID00373342;DNMYILASPHUVFX-UHFFFAOYSA-N;MFCD01631186;AKOS015995707;AB09336;FS-6512;CS-0171801;1-Amino-3-N-(4'-Boc-piperazinyl)-2-propanol;tert-butyl 4-(2-amino-2-hydroxyethyl)piperazine-1-carboxylate;4-(3-amino-2-hydroxy-propyl)-piperazine-1-carboxylic acid tert-butyl ester;4-(3-Amino-2-hydroxypropyl)piperazine-1-carboxylic acid tert-butyl ester

Chemical Property of Tert-butyl 4-(3-amino-2-hydroxypropyl)piperazine-1-carboxylate

Chemical Property:

• Vapor Pressure: 2.42E-07mmHg at 25°C
• Refractive Index: 1.511
• Boiling Point: 380.2°C at 760 mmHg
• Flash Point: 183.7°C
• PSA: 79.03000
• Density: 1.12g/cm³
• LogP: 0.43480
• Storage Temp.: 2-8°C
• XLogP3: -0.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 259.18959167
• Heavy Atom Count: 18
• Complexity: 270

Purity/Quality:

97% ^*data from raw suppliers

tert-Butyl4-(3-amino-2-hydroxypropyl)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)N1CCN(CC1)CC(CN)O

Technology Process of Tert-butyl 4-(3-amino-2-hydroxypropyl)piperazine-1-carboxylate

There total 4 articles about Tert-butyl 4-(3-amino-2-hydroxypropyl)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: 85.0%

tert-butyl 4-(3-azido-2-hydroxypropyl)piperazine-1-carboxylate → (±)-tert-butyl 4-(3-amino-2-hydroxypropyl)piperazine-1-carboxylate (811841-98-2)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In ethanol; at 20 ℃; for 3h;

Reference yield: 46.0%

tert-butyl 4-[3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-2-hydroxypropyl]piperazine-1-carboxylate → (±)-tert-butyl 4-(3-amino-2-hydroxypropyl)piperazine-1-carboxylate (811841-98-2)

Guidance literature:

With methylamine; In ethanol; at 50 ℃; Sealed tube;

Reference yield:

1-t-Butoxycarbonylpiperazine (57260-71-6) → (±)-tert-butyl 4-(3-amino-2-hydroxypropyl)piperazine-1-carboxylate (811841-98-2)

Guidance literature:

Multi-step reaction with 2 steps

1: acetonitrile / 6 h / 70 °C

2: methylamine / ethanol / 50 °C / Sealed tube

With methylamine; In ethanol; acetonitrile;

upstream raw materials:

1-t-Butoxycarbonylpiperazine

Downstream raw materials:

tert-butyl 4-(2-hydroxy-3-(4-(4-(4-hydroxybenzylamino)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-ylamino)benzamido)propyl)piperazine-1-carboxylate

4-{3-[4-(9-cyclopentyl-7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-ylamino)-3-methoxy-benzoylamino]-2-hydroxy-propyl}-piperazine-1-carboxylic acid tert-butyl ester

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