Benzyl 3-(hydroxymethyl)piperazine-1-carboxylate

Base Information

• Chemical Name: Benzyl 3-(hydroxymethyl)piperazine-1-carboxylate
• CAS No.: 191739-40-9
• Molecular Formula: C13H18N2O3
• Molecular Weight: 250.298
• Hs Code.: 2933599090
• European Community (EC) Number: 672-429-7
• DSSTox Substance ID: DTXSID30373870
• Mol file: 191739-40-9.mol

Synonyms:191739-40-9;4-N-Cbz-(2-Hydroxymethyl)piperazine;Benzyl 3-(hydroxymethyl)piperazine-1-carboxylate;4-N-CBZ-2-HYDROXYMETHYL-PIPERAZINE;1-Cbz-3-(hydroxymethyl)piperazine;1-PIPERAZINECARBOXYLIC ACID, 3-(HYDROXYMETHYL)-, PHENYLMETHYL ESTER;4-n-cbz-2-hydroxymethylpiperazine;4-n-cbz-2-hydroxymethyl piperazine;MFCD03001722;3-hydroxymethyl-piperazine-1-carboxylic acid benzyl ester;4-N-Cbz-2-(hydroxymethyl)piperazine;SCHEMBL1624293;Ethylpiperidinoacetylaminobenzoate;DTXSID30373870;WYLJXEXNZWQHBJ-UHFFFAOYSA-N;(+/-)-3-Hydroxymethylpiperazine-1-carboxylic acid phenylmethylester;AKOS015897795;AB12873;SB46360;SB48163;DS-12601;SY008702;CS-0146553;FT-0657340;FT-0771360;FT-0773642;Benzyl 3-(hydroxymethyl)-1-piperazinecarboxylate;Q-102938

Chemical Property of Benzyl 3-(hydroxymethyl)piperazine-1-carboxylate

Chemical Property:

• Vapor Pressure: 1.38E-07mmHg at 25°C
• Refractive Index: 1.549
• Boiling Point: 413.8 °C at 760 mmHg
• Flash Point: 204 °C
• PSA: 61.80000
• Density: 1.189 g/cm³
• LogP: 0.85600
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 250.13174244
• Heavy Atom Count: 18
• Complexity: 267

Purity/Quality:

98%min ^*data from raw suppliers

4-N-Cbz-2-hydroxymethyl-piperazine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CC(N1)CO)C(=O)OCC2=CC=CC=C2

Technology Process of Benzyl 3-(hydroxymethyl)piperazine-1-carboxylate

There total 4 articles about Benzyl 3-(hydroxymethyl)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:

(+/-)-tetrahydro-3-oxo-3 H-oxazolo(3,4-a)pyrazin-7(1 H)-carboxylic acid phenylmethylester → benzyl 3-(hydroxymethyl)piperazine-1-carboxylate (191739-40-9,930837-03-9)

Guidance literature:

With potassium tert-butylate; In water;

Reference yield:

4-benzyl 1-(tert-butyl) 2-(hydroxymethyl)piperazine-1,4-dicarboxylate (557056-07-2) → benzyl 3-(hydroxymethyl)piperazine-1-carboxylate (191739-40-9,930837-03-9)

Guidance literature:

With trifluoroacetic acid; In dichloromethane; at 20 ℃; for 3h; Inert atmosphere;

Reference yield:

(R)-tert-butyl 2-(hydroxymethyl)piperazine-1-carboxylate → benzyl 3-(hydroxymethyl)piperazine-1-carboxylate (191739-40-9,930837-03-9)

Guidance literature:

Multi-step reaction with 2 steps

1: triethylamine / dichloromethane / 0 - 20 °C / Inert atmosphere

2: trifluoroacetic acid / dichloromethane / 3 h / 20 °C / Inert atmosphere

With triethylamine; trifluoroacetic acid; In dichloromethane;

upstream raw materials:

benzyl chloroformate

4-benzyl 1-(tert-butyl) 2-(hydroxymethyl)piperazine-1,4-dicarboxylate

Downstream raw materials:

C₂₆H₄₁N₃O₇

3-hydroxymethyl-4-[2-(2-hydroxy-phenyl)-7-methyl-quinazolin-4-yl]-piperazine-1-carboxylic acid benzyl ester

Refernces

• 1、 -. "OXAZOLIDINONE ANTIBACTERIAL AGENT WITH TRICYCLIC SUBSTITUENTS". Page 11. . Retrieved 2010/02/06.