N-BOC-3-AZA-HEPTAN-1-ONE

Base Information

• Chemical Name: N-BOC-3-AZA-HEPTAN-1-ONE
• CAS No.: 870842-23-2
• Molecular Formula: C11H19NO3
• Molecular Weight: 213.277
• Hs Code.: 2933990090
• Mol file: 870842-23-2.mol

Synonyms:tert-butyl 3-oxoazepane-1-carboxylate;1H-Azepine-1-carboxylic acid, hexahydro-3-oxo-, 1,1-dimethylethyl ester;

Chemical Property of N-BOC-3-AZA-HEPTAN-1-ONE

Chemical Property:

• Vapor Pressure: 0.00069mmHg at 25°C
• Refractive Index: 1.476
• Boiling Point: 308.2 °C at 760 mmHg
• PKA: -1.63±0.20(Predicted)
• Flash Point: 140.2 °C
• PSA: 46.61000
• Density: 1.072 g/cm³
• LogP: 1.91440
• Storage Temp.: 2-8°C

Purity/Quality:

99%, ^*data from raw suppliers

tert-Butyl3-oxoazepane-1-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of N-BOC-3-AZA-HEPTAN-1-ONE

There total 11 articles about N-BOC-3-AZA-HEPTAN-1-ONE 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%

1-benzylazepan-3-one (146407-32-1) + di-tert-butyl dicarbonate (24424-99-5) → 3-oxoazepane-1-carboxylic acid tert-butyl ester (870842-23-2)

Guidance literature:

With palladium on activated charcoal; hydrogen; In methanol; water; at 20 ℃; for 12h; under 2585.81 Torr;

Reference yield: 98.1%

ε-caprolactam (171257-01-5) + di-tert-butyl dicarbonate (24424-99-5) → 3-oxoazepane-1-carboxylic acid tert-butyl ester (870842-23-2)

Guidance literature:

With triethylamine; In dichloromethane; at 20 - 35 ℃; for 6h;

Reference yield: 67.0%

C13H25NO4S (1179348-71-0) → 3-oxoazepane-1-carboxylic acid tert-butyl ester (870842-23-2)

Guidance literature:

With bis(1,5-cyclooctadiene)diiridium(I) dichloride; In 1,2-dichloro-ethane; at 70 ℃; for 18h; Inert atmosphere;

DOI:10.1021/ol901298p

upstream raw materials:

C₁₃H₂₅NO₄S

piperidin-2-one

2-oxopiperidine-1-carboxylic acid tert-butyl ester

di-tert-butyl dicarbonate

Downstream raw materials:

(R)-(+)-3-Amino-hexahydro-1H-azepin

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