1,3,8-Triazaspiro(4.5)decan-4-one, 8-(3-benzoylpropyl)-1-phenyl-

Base Information

• Chemical Name: 1,3,8-Triazaspiro(4.5)decan-4-one, 8-(3-benzoylpropyl)-1-phenyl-
• CAS No.: 1054-89-3
• Molecular Formula: C₂₃H₂₇N₃O₂
• Molecular Weight: 377.486
• NSC Number: 167756
• UNII: VI98YE90U9
• DSSTox Substance ID: DTXSID70147113
• Nikkaji Number: J85.122A
• Wikidata: Q83012195
• Mol file: 1054-89-3.mol

Synonyms:1054-89-3;1,3,8-Triazaspiro(4.5)decan-4-one, 8-(3-benzoylpropyl)-1-phenyl-;NSC167756;NSC 167756;BRN 0630773;VI98YE90U9;8-(3-Benzoyl-1-propyl)-4-oxo-1-phenyl-1,3,8-triazaspiro(4.5)decane;NSC-167756;8-(3-Benzoylpropyl)-1-phenyl-1,3,8-triazaspiro(4.5)decan-4-one;5-26-04-00108 (Beilstein Handbook Reference);8-(4-Oxo-4-phenylbutyl)-1-phenyl-1,3,8-triazaspiro(4.5)decan-4-one;8-(4-Oxo-4-phenylbutyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one;8-(3-Benzoylpropyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one;UNII-VI98YE90U9;SCHEMBL10735272;DTXSID70147113;1,3,8-Triazaspiro[4.5]decan-4-one,8-(4-oxo-4-phenylbutyl)-1-phenyl-;LS-154758;8-(4-oxo-4-phenyl-butyl)-4-phenyl-2,4,8-triazaspiro[4.5]decan-1-one;1,3,8-TRIAZASPIRO(4.5)DECAN-4-ONE, 8-(4-OXO-4-PHENYLBUTYL)-1-PHENYL-

Chemical Property of 1,3,8-Triazaspiro(4.5)decan-4-one, 8-(3-benzoylpropyl)-1-phenyl-

Chemical Property:

• Vapor Pressure: 1.48E-15mmHg at 25°C
• Boiling Point: 625.4°C at 760 mmHg
• Flash Point: 332°C
• Density: 1.23g/cm³
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 377.21032711
• Heavy Atom Count: 28
• Complexity: 544

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CCC12C(=O)NCN2C3=CC=CC=C3)CCCC(=O)C4=CC=CC=C4

Technology Process of 1,3,8-Triazaspiro(4.5)decan-4-one, 8-(3-benzoylpropyl)-1-phenyl-

There total 3 articles about 1,3,8-Triazaspiro(4.5)decan-4-one, 8-(3-benzoylpropyl)-1-phenyl- 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:

4-chloro-1-phenylbutan-1-one (939-52-6) → 8-[(4-oxo-4-phenyl)butyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one (1054-89-3)

Guidance literature:

Multi-step reaction with 2 steps

1: 3 g / NaI / acetone / 6 h / Heating

2: K₂CO₃ / various solvent(s) / 24 h / Heating

With potassium carbonate; sodium iodide; In acetone;

Reference yield:

4-iodobutyrophenone (65488-05-3) + 1-Phenyl-1,3,8-triaza-spiro[4.5]decan-4-one (1021-25-6) → 8-[(4-oxo-4-phenyl)butyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one (1054-89-3)

Guidance literature:

With potassium carbonate; In various solvent(s); for 24h; Heating;

Reference yield:

→ 8-[(4-oxo-4-phenyl)butyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one (1054-89-3)

Guidance literature:

aus 1-Oxo-4-phenyl-2,4,8-triazaspiro<4.5>decan u. 3-Benzoyl-propylchlorid;

upstream raw materials:

4-iodobutyrophenone

1-Phenyl-1,3,8-triaza-spiro[4.5]decan-4-one

4-chloro-1-phenylbutan-1-one