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

Base Information

• Chemical Name: 8-Benzyl-1-phenyl-1,3,8-triaza-spiro[4.5]decan-4-one
• CAS No.: 974-41-4
• Molecular Formula: C20H23 N3 O
• Molecular Weight: 321.422
• Hs Code.: 2933990090
• European Community (EC) Number: 213-549-8
• NSC Number: 664996,73400
• DSSTox Substance ID: DTXSID60242929
• Nikkaji Number: J298.579I
• Wikidata: Q72442705
• Pharos Ligand ID: D5ZDPMAZ57F7
• ChEMBL ID: CHEMBL203356
• Mol file: 974-41-4.mol

Synonyms:974-41-4;8-benzyl-1-phenyl-1,3,8-triaza-spiro[4.5]decan-4-one;8-Benzyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one;CHEMBL203356;EINECS 213-549-8;NSC664996;8-Benzyl-1-phenyl-1,3,8-triazaspiro(4,5)decan-4-one;8-benzyl-1-phenyl-1,3,8-triazaspiro[4,5]decan-4-one;8-Benzyl-1-phenyl-1,3,8-triaza-spiro[4.5]decan -4-one;1,3,8-Triazaspiro[4.5]decan-4-one, 1-phenyl-8-(phenylmethyl)-;nsc 73400;NSC73400;Oprea1_499406;SCHEMBL7847623;8-benzyl-4-phenyl-2,4,8-triazaspiro[4.5]decan-1-one;8-benzyl-4-keto-1-phenyl-1,3,8-triazaspiro[4,5]decane;DTXSID60242929;BDBM50175929;MFCD02929369;NSC-73400;AKOS021983004;NSC-664996;AS-36400;CS-0172737;FT-0621506

Chemical Property of 8-Benzyl-1-phenyl-1,3,8-triaza-spiro[4.5]decan-4-one

Chemical Property:

• Vapor Pressure: 1.2E-11mmHg at 25°C
• Melting Point: 232-238℃
• Boiling Point: 538°Cat760mmHg
• Flash Point: 279.2°C
• PSA: 35.58000
• Density: 1.22g/cm³
• LogP: 2.94680
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 321.184112366
• Heavy Atom Count: 24
• Complexity: 432

Purity/Quality:

≥95% ^*data from raw suppliers

8-Benzyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CCC12C(=O)NCN2C3=CC=CC=C3)CC4=CC=CC=C4

Technology Process of 8-Benzyl-1-phenyl-1,3,8-triaza-spiro[4.5]decan-4-one

There total 8 articles about 8-Benzyl-1-phenyl-1,3,8-triaza-spiro[4.5]decan-4-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: 96.0%

1-(phenylmethyl)-4,4-(2-phenyl-2,4-diaza-4-oxo-cyclopentane)piperidine (974-42-5) → 8-benzyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one (974-41-4)

Guidance literature:

With sodium tetrahydroborate; In methanol; at 20 ℃; for 2h;

DOI:10.1021/acs.jmedchem.8b00278

Reference yield:

1-benzyl-4-phenylaminopiperidine-4-carboxylic acid amide (1096-03-3) + formamide (77287-34-4,77287-35-5,60100-09-6) → 8-benzyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one (974-41-4)

Guidance literature:

at 200 ℃; for 2h;

DOI:10.1021/jm070763y

Reference yield:

1-phenylmethyl-4-piperidone (3612-20-2) → 8-benzyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one (974-41-4)

Guidance literature:

Multi-step reaction with 4 steps

1: acetic acid / 2.5 h / 0 - 20 °C

2: sulfuric acid / 18 h / 20 °C

3: methanol / 16 h / 55 °C

4: sodium tetrahydroborate / methanol / 2 h / 20 °C

With sodium tetrahydroborate; sulfuric acid; acetic acid; In methanol;

DOI:10.1021/acs.jmedchem.8b00278

upstream raw materials:

benzaldehyde

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

1-benzyl-4-phenylaminopiperidine-4-carboxylic acid amide

formamide

Downstream raw materials:

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

Refernces

• 1、 Gong, Ping,Guo, Ming,Liu, Sicong,Miao, Xiuqi,Xing, Lingyun,Yin, Shiliang,Zhai, Xin,Zhang, Dajun,Zhang, Hong. "Design, synthesis and biological evaluation of 2-arylaminopyrimidine derivatives bearing 1,3,8-triazaspiro[4,5]decan-4-one or piperidine-3-carboxamide moiety as novel Type-I1/2 ALK inhibitors". . . Retrieved 2019/12/26.
• 2、 -. "Piperidone derivatives and medical uses thereof". Page/Page column 17; 24. . Retrieved 2009/04/23.