1-Boc-3-oxopiperazine

Base Information

• Chemical Name: 1-Boc-3-oxopiperazine
• CAS No.: 76003-29-7
• Molecular Formula: C9H16N2O3
• Molecular Weight: 200.238
• Hs Code.: 29339900
• European Community (EC) Number: 628-604-5
• DSSTox Substance ID: DTXSID70390102
• Wikidata: Q72450229
• Mol file: 76003-29-7.mol

Synonyms:1-Boc-3-oxopiperazine;76003-29-7;tert-butyl 3-oxopiperazine-1-carboxylate;4-N-Boc-2-oxo-piperazine;n-boc-3-oxopiperazine;4-boc-piperazinone;3-Oxo-piperazine-1-carboxylic acid tert-butyl ester;tert-butyl 3-oxo-1-piperazinecarboxylate;MFCD02181069;1-PIPERAZINECARBOXYLIC ACID, 3-OXO-, 1,1-DIMETHYLETHYL ESTER;2-oxo-4-(tert-butoxycarbonyl)piperazine;3-Oxopiperazine-1-carboxylic Acid tert-Butyl Ester;1-Boc-oxopiperzine;Boc-3-oxopiperazine;1-(tert-Butoxycarbonyl)-3-oxopiperazine;4-Boc-2-piperazinone;4-Boc-2-oxopiperazine;1-Boc-3-oxo-piperazine;4-n-boc-piperazin-2-one;SCHEMBL190307;IFLab1_005757;1-Boc-3-oxopiperazine, 98%;DTXSID70390102;FCMLWBBLOASUSO-UHFFFAOYSA-N;HMS1428F15;1-t-Butoxycarbonyl-3-oxopiperazine;4-t-butoxycarbonyl-2-oxopiperazine;BCP23138;4-(N-BOC)-2-PIPERAZINOPNE;1-t-butyloxycarbonyl-3-oxopiperazine;4-tert butoxycarbonylpiperazin-2-one;4-tert-butoxycarbonyl-2-piperazinone;4-tert-butoxycarbonylpiperazin-2-one;BBL001483;STK121138;1-tert-butoxycarbonyl-3-oxopiperazine;4-Bromo-3,5-dimethoxybenzoylchloride;4-tert-butoxycarbonyl-2-oxopiperazine;4-tert-butyloxycarbonyl-2-piperazinone;AKOS000302339;t-Butyl 3-Oxo-1-piperazinecarboxylate;Tert-butyl 3-oxo-piperazinecarboxylate;AC-6696;CS-W001639;PB29196;PS-5186;WAY-272085;1-Boc-3-oxopiperazine, puriss., 98%;4-(t-Butyloxycarbonyl)-piperazin-2-one;4-(tert-butoxycarbonyl)-2-piperazinone;4-tert-butyloxycarbonyl-piperazin-2-one;IDI1_011160;tert-butyl-3-oxopiperazine-1-carboxylate;4-(tert-butyloxycarbonyl)piperazin-2-one;tert-Butyl 3-oxopiperazine-1-carboxylate;3-Oxopiperazine-1-carboxylic acid tert-butyl ester;SY005965;4-(tert-Butyloxycarbonyl)-2-oxopiperazine;4-(tert-Butyloxycarbonyl)-piperazin-2-one;A9645;AM20100743;B3804;BB 0254036;FT-0630063;EN300-61882;1,1-dimethylethyl 3-oxo-1-piperazinecarboxylate;3-Oxo-piperazine-1-carboxylic acidtert-butylester;5-oxopiperazine-1-carboxylic acid tert-butyl ester;AN-329/42173581;piperazin-3-one-1-carboxylic acid tert-butyl ester;W-203739;Z57397192;F1443-4359

Chemical Property of 1-Boc-3-oxopiperazine

Chemical Property:

• Vapor Pressure: 2.44E-05mmHg at 25°C
• Melting Point: 156-160 °C(lit.)
• Refractive Index: 1.479
• Boiling Point: 359.1 °C at 760 mmHg
• PKA: 15.01±0.20(Predicted)
• Flash Point: 171 °C
• PSA: 58.64000
• Density: 1.129 g/cm³
• LogP: 0.62000
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• Solubility.: soluble in Methanol
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 200.11609238
• Heavy Atom Count: 14
• Complexity: 245

Purity/Quality:

99.9% ^*data from raw suppliers

1-Boc-oxopiperzine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)N1CCNC(=O)C1
• Uses: 4-Boc-2-oxopiperazine is used in the synthesis of renin inhibitors. Also used in the synthesis of isoindoline inhibitors of dipeptidyl peptidases.

Technology Process of 1-Boc-3-oxopiperazine

There total 7 articles about 1-Boc-3-oxopiperazine 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%

2-Ketopiperazine (5625-67-2) + di-tert-butyl dicarbonate (24424-99-5) → 4-(t-butyloxycarbonyl)piperazin-2-one (76003-29-7)

Guidance literature:

In dichloromethane; for 3h;

Reference yield: 90.0%

2-Ketopiperazine (5625-67-2) + di-tert-butyl dicarbonate (24424-99-5) + 1,2-dichloro-ethane (107-06-2,52399-93-6) → 4-(t-butyloxycarbonyl)piperazin-2-one (76003-29-7)

Guidance literature:

With triethylamine; In dichloromethane; at 20 ℃; for 3h;

Reference yield: 33.0%

di-tert-butyl dicarbonate (24424-99-5) + chloroacetic acid ethyl ester (105-39-5) → 4-(t-butyloxycarbonyl)piperazin-2-one (76003-29-7)

Guidance literature:

With sodium methylate; ethylenediamine; In methanol; ethanol; dichloromethane; petrol;

upstream raw materials:

2-Ketopiperazine

di-tert-butyl dicarbonate

1,2-dichloro-ethane

chloroacetic acid ethyl ester

Downstream raw materials:

tert-butyl 4-(4-(1-cyclohexylethoxy)benzyl)-3-oxopiperazine-1-carboxylate

1,1-dimethylethyl 4-[2-fluoro-4-(methyloxy)phenyl]-3-oxo-1-piperazinecarboxylate

1,1-dimethylethyl 4-(2-fluoro-4-methylphenyl)-3-oxo-1-piporazinecarboxylate

tert-butyl 4-(5-bromopyridin-2-yl)-3-oxopiperazine-1-carboxylate

Refernces

• 1、 -. "Nitroimidazole compound as well as preparation method and application thereof". Paragraph 0274-0276; 0277-0278. . Retrieved 2021/02/10.
• 2、 -. "Tetrahydroisoquinoline amide compounds containing quaternary ammonium ion and pharmaceutical use thereof". Paragraph 0383-0384. . Retrieved 2019/07/11.