hexahydroindolizin-8(5H)-one

Base Information

• Chemical Name: hexahydroindolizin-8(5H)-one
• CAS No.: 2407-98-9
• Molecular Formula: C₈H₁₃NO
• Molecular Weight: 139.197
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID10547597
• Nikkaji Number: J2.783.734D
• Mol file: 2407-98-9.mol

Synonyms:hexahydroindolizin-8(5H)-one;2407-98-9;HEXAHYDRO-INDOLIZIN-8-ONE;octahydroindolizin-8-one;2,3,5,6,7,8a-hexahydro-1H-indolizin-8-one;8(5H)-Indolizinone, hexahydro-;SCHEMBL8416263;Fmoc-L-?-Homo-Asp(OBzl)-OH;DTXSID10547597;CAA40798;AKOS006292615;A4988;CS-0217232;EN300-7163800;2, 3, 5, 6, 7, 8a-hexahydro-1H-indolizin-8-one

Chemical Property of hexahydroindolizin-8(5H)-one

Chemical Property:

• Vapor Pressure: 0.085mmHg at 25°C
• Boiling Point: 225.674oC at 760 mmHg
• PKA: 7.21±0.20(Predicted)
• Flash Point: 83.799oC
• PSA: 20.31000
• Density: 1.089g/cm3
• LogP: 0.75160
• Storage Temp.: 2-8°C
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 139.099714038
• Heavy Atom Count: 10
• Complexity: 155

Purity/Quality:

97% ^*data from raw suppliers

Hexahydro-indolizin-8-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC2C(=O)CCCN2C1

Technology Process of hexahydroindolizin-8(5H)-one

There total 2 articles about hexahydroindolizin-8(5H)-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:

→ 8-indolizidinone (2407-98-9,15912-41-1)

Guidance literature:

With sodium ethanolate; Erwaermen des Reaktionsprodukts mit wss. Salzsaeure;

DOI:10.1021/ja01138a053

Reference yield:

→ 8-indolizidinone (2407-98-9,15912-41-1)

Guidance literature:

(-)-8-Oxo-octahydro-indolizin-7-carbonsaeure-ethylester, wss.Salzsaeure, Δ;

Reference yield: 87.0%

8-indolizidinone (2407-98-9,15912-41-1) + (3-methoxyphenyl)magnesium bromide (36282-40-3) → 8-(3-methoxyphenyl)indolizidin-8-ol (104779-13-7)

Guidance literature:

In tetrahydrofuran; diethyl ether; a) RT, 30 min, b) reflux, 1 h, c) RT, overnight;

DOI:10.1021/jm00384a024

Downstream raw materials:

azonane

8-(3-methoxyphenyl)indolizidin-8-ol

indolizidine

8-(3-Methoxy-phenyl)-1,2,3,5,6,7-hexahydro-indolizine