1-N-Boc-5-oxo-1,4-diazepane

Base Information

• Chemical Name: 1-N-Boc-5-oxo-1,4-diazepane
• CAS No.: 190900-21-1
• Molecular Formula: C10H18N2O3
• Molecular Weight: 214.265
• Hs Code.: 2933990090
• Mol file: 190900-21-1.mol

Synonyms:1,1-Dimethylethylhexahydro-5-oxo-1H-1,4-diazepine-1-carboxylate;5-Oxo-[1,4]diazepane-1-carboxylicacid tert-butyl ester;tert-Butyl 5-oxo-1,4-diazepane-1-carboxylate;

Chemical Property of 1-N-Boc-5-oxo-1,4-diazepane

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.475
• Boiling Point: 373.054 °C at 760 mmHg
• PKA: 16.06±0.20(Predicted)
• Flash Point: 179.417 °C
• PSA: 58.64000
• Density: 1.098 g/cm³
• LogP: 1.01010
• Storage Temp.: 2-8°C

Purity/Quality:

99% ^*data from raw suppliers

tert-Butyl5-Oxo-1,4-diazepane-1-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 1-N-Boc-5-oxo-1,4-diazepane

There total 7 articles about 1-N-Boc-5-oxo-1,4-diazepane 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: 89.0%

[1,4]diazepan-5-one (34376-54-0) + di-tert-butyl dicarbonate (24424-99-5) → 5-oxo-[1,4]diazepane-1-carboxylic acid tert-butyl ester (190900-21-1)

Guidance literature:

In tetrahydrofuran; at 10 - 20 ℃; for 2h;

Reference yield: 89.0%

hexahydro-(5H)-1,4-diazepine-5-one acetic acid salt (190900-20-0) + di-tert-butyl dicarbonate (24424-99-5) → 5-oxo-[1,4]diazepane-1-carboxylic acid tert-butyl ester (190900-21-1)

Guidance literature:

With sodium hydroxide; sodium chloride; Pearlman's catalyst; In chloroform; water; for 4h; Heating / reflux;

Reference yield: 84.0%

tert-butyl 4-(hydroxyimino)piperidine-1-carboxylate (150008-24-5) → 5-oxo-[1,4]diazepane-1-carboxylic acid tert-butyl ester (190900-21-1)

Guidance literature:

With 2,4,6-tripropyl-1,3,5,2,4,6-trioxatriphosphinane-2,4,6-trioxide; In tetrahydrofuran; ethyl acetate; at 70 ℃; Inert atmosphere;

DOI:10.1016/j.tetlet.2010.12.090

upstream raw materials:

[1,4]diazepan-5-one

di-tert-butyl dicarbonate

1-benzyl-1,4-diazepan-5-one

hexahydro-(5H)-1,4-diazepine-5-one acetic acid salt

Downstream raw materials:

tert-butyl 5-thioxo-1,4-diazepane-1-carboxylate

Refernces

• 1、 -. "1,2,4 -TRIAZOLES AS ALLOSTERIC MODULATORS OF MGLU5 RECEPTOR ACTIVITY FOR THE TREATMENT OF SCHIZOPHRENIA OF DEMENTIA". Page/Page column 74. . Retrieved 2013/06/27.
• 2、 Augustine, John Kallikat,Kumar, Rajesha,Bombrun, Agnes,Mandal, Ashis Baran. "An efficient catalytic method for the Beckmann rearrangement of ketoximes to amides and aldoximes to nitriles mediated by propylphosphonic anhydride (T3P)". scheme or table. p. 1074 - 1077. Retrieved 2011/03/22.