Tert-butyl 2-methyl-3-oxopiperazine-1-carboxylate

Base Information

• Chemical Name: Tert-butyl 2-methyl-3-oxopiperazine-1-carboxylate
• CAS No.: 76003-30-0
• Molecular Formula: C10H18N2O3
• Molecular Weight: 214.265
• Hs Code.: 2933599090
• European Community (EC) Number: 855-295-6
• DSSTox Substance ID: DTXSID80505260
• Mol file: 76003-30-0.mol

Synonyms:76003-30-0;1-Boc-2-methyl-3-oxopiperazine;tert-butyl 2-methyl-3-oxopiperazine-1-carboxylate;tert-Butyl 2-methyl-3-oxo-piperazine-1-carboxylate;2-Methyl-3-oxo-piperazine-1-carboxylic acid tert-butyl ester;MFCD06803995;MFCD28969589;SCHEMBL1343400;4-Boc-3-methylpiperazin-2-one;DTXSID80505260;KKVKQTLLEBWZTR-UHFFFAOYSA-N;BDA00330;(R)-1-Boc-2-methylpiperazin-3-one;AKOS000503211;AKOS016053139;AB88828;CS-W001640;MB04252;SB46464;DS-12955;SY042491;SY107513;FT-0685024;EN300-71563;A22142;W10299;J-524450;Z1142582046

Chemical Property of Tert-butyl 2-methyl-3-oxopiperazine-1-carboxylate

Chemical Property:

• Vapor Pressure: 2E-05mmHg at 25°C
• Boiling Point: 362°C at 760 mmHg
• Flash Point: 172.7°C
• PSA: 58.64000
• Density: 1.086g/cm³
• LogP: 1.00850
• Storage Temp.: 2-8°C
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 214.13174244
• Heavy Atom Count: 15
• Complexity: 270

Purity/Quality:

97% ^*data from raw suppliers

tert-Butyl2-Methyl-3-oxopiperazine-1-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C(=O)NCCN1C(=O)OC(C)(C)C

Technology Process of Tert-butyl 2-methyl-3-oxopiperazine-1-carboxylate

There total 3 articles about Tert-butyl 2-methyl-3-oxopiperazine-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%

3-methylpiperazin-2-one (23936-11-0) + di-tert-butyl dicarbonate (24424-99-5) → tert-butyl 2-methyl-3-oxopiperazine-1-carboxylate (76003-30-0,1629229-82-8)

Guidance literature:

In dichloromethane; at 20 ℃; for 16h;

Reference yield:

4-(t-butyloxycarbonyl)piperazin-2-one (76003-29-7) → tert-butyl 2-methyl-3-oxopiperazine-1-carboxylate (76003-30-0,1629229-82-8)

Guidance literature:

With lithium diisopropyl amide; In tetrahydrofuran; at 0 ℃;

DOI:10.1016/S0040-4039(00)77395-3

Reference yield:

di-tert-butyl dicarbonate (24424-99-5) → tert-butyl 2-methyl-3-oxopiperazine-1-carboxylate (76003-30-0,1629229-82-8)

Guidance literature:

Multi-step reaction with 2 steps

1: tetrahydrofuran

2: 39 percent Turnov_. / LDA / tetrahydrofuran / 0 °C

With lithium diisopropyl amide; In tetrahydrofuran;

DOI:10.1016/S0040-4039(00)77395-3

upstream raw materials:

4-(t-butyloxycarbonyl)piperazin-2-one

di-tert-butyl dicarbonate

3-methylpiperazin-2-one

Downstream raw materials:

[1,1'-biphenyl]-4-yl-(8-methyl-3-(6-methylpyridin-2-yl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)methanone

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