ETHYL 1-BOC-4-OXO-3-AZEPANECARBOXYLATE

Base Information

• Chemical Name: ETHYL 1-BOC-4-OXO-3-AZEPANECARBOXYLATE
• CAS No.: 98977-37-8
• Molecular Formula: C₁₄H₂₃NO₅
• Molecular Weight: 285.34
• Hs Code.: 2933990090
• Mol file: 98977-37-8.mol

Synonyms:1H-Azepine-1,3-dicarboxylicacid, hexahydro-4-oxo-, 1-(1,1-dimethylethyl) 3-ethyl ester, (?à)-

Chemical Property of ETHYL 1-BOC-4-OXO-3-AZEPANECARBOXYLATE

Chemical Property:

• Vapor Pressure: 5.33E-06mmHg at 25°C
• Boiling Point: 380.8°Cat760mmHg
• PKA: 11.08±0.20(Predicted)
• Flash Point: 184.1°C
• PSA: 72.91000
• Density: 1.127g/cm³
• LogP: 1.70360

Purity/Quality:

98%min ^*data from raw suppliers

1-tert-Butyl3-ethyl4-oxoazepane-1,3-dicarboxylate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of ETHYL 1-BOC-4-OXO-3-AZEPANECARBOXYLATE

There total 5 articles about ETHYL 1-BOC-4-OXO-3-AZEPANECARBOXYLATE 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%

diazoacetic acid ethyl ester (623-73-4) + 3-oxo-piperidine-1-carboxylic acid tert-butyl ester (98977-36-7) → ethyl (+/-)-1-(tert-butyloxycarbonyl)-4-oxoperhydroazepine-3-carboxylate (98977-37-8)

Guidance literature:

3-oxo-piperidine-1-carboxylic acid tert-butyl ester; With boron trifluoride diethyl etherate; In diethyl ether; at -30 ℃; for 0.5h; Inert atmosphere;

diazoacetic acid ethyl ester; In diethyl ether; at 20 ℃; for 1h; Inert atmosphere;

Reference yield: 96.0%

diazoacetic acid ethyl ester (623-73-4) + N-tert-butyloxycarbonylpiperidin-4-one (79099-07-3) → ethyl (+/-)-1-(tert-butyloxycarbonyl)-4-oxoperhydroazepine-3-carboxylate (98977-37-8)

Guidance literature:

With boron trifluoride diethyl etherate; In diethyl ether; at -30 - 20 ℃;

Reference yield: 48.0%

diazoacetic acid ethyl ester (623-73-4) + 3-oxo-piperidine-1-carboxylic acid tert-butyl ester (98977-36-7) → ethyl (+/-)-1-(tert-butyloxycarbonyl)-4-oxoperhydroazepine-3-carboxylate (98977-37-8) + ethyl (+/-)-1-(tert-butyloxycarbonyl)-3-oxoperhydroazepine-4-carboxylate (98977-38-9)

Guidance literature:

3-oxo-piperidine-1-carboxylic acid tert-butyl ester; With boron trifluoride diethyl etherate; In diethyl ether; at -30 ℃; for 0.166667h;

diazoacetic acid ethyl ester; at -30 ℃; for 1h;

DOI:10.1016/j.tetlet.2018.11.047

upstream raw materials:

diazoacetic acid ethyl ester

3-oxo-piperidine-1-carboxylic acid tert-butyl ester

di-tert-butyl dicarbonate

N-tert-butyloxycarbonylpiperidin-4-one

Downstream raw materials:

(-)-1-(tert-butoxycarbonyl)azepane-3-carboxylic acid

C₂₀H₂₅N₃O₃

Refernces

• 1、 Yarmoliuk, Dmytro V.,Serhiichuk, Dmytro,Smyrnov, Vladyslav,Tymtsunik, Andriy V.,Hryshchuk, Oleksandr V.,Kuchkovska, Yuliya,Grygorenko, Oleksandr O.. "Synthesis of azabicyclo[n.1.0]alkane-derived bifunctional building blocks via the Corey–Chaykovsky cyclopropanation". supporting information. p. 4611 - 4615. Retrieved 2018/11/27.
• 2、 -. "2-AMINOPYRIMIDINE COMPOUNDS AS SEROTONIN RECEPTOR MODULATORS". Page/Page column 32-33. . Retrieved 2010/06/11.