2'-Benzoyl-4'-methyl-3'-piperidin-1-ylspiro(fluorene-9,5'-isothiazolidine)

Base Information

• Chemical Name: 2'-Benzoyl-4'-methyl-3'-piperidin-1-ylspiro(fluorene-9,5'-isothiazolidine)
• CAS No.: 39593-88-9
• Molecular Formula: C28H28N2OS
• Molecular Weight: 440.5997
• NSC Number: 174544
• DSSTox Substance ID: DTXSID90960200
• Mol file: 39593-88-9.mol

Synonyms:39593-88-9;NSC174544;NSC 174544;2'-benzoyl-4'-methyl-3'-piperidin-1-ylspiro(fluorene-9,5'-isothiazolidine);2'-benzoyl-4'-methyl-3'-piperidin-1-ylspiro[fluorene-9,5'-isothiazolidine];DTXSID90960200;NSC-174544;[4'-methyl-3'-(1-piperidyl)spiro[fluorene-9,5'-isothiazolidine]-2'-yl]-phenyl-methanone;[4'-Methyl-3'-(piperidin-1-yl)spiro[fluorene-9,5'-[1,2]thiazolidin]-2'-yl](phenyl)methanone

Chemical Property of 2'-Benzoyl-4'-methyl-3'-piperidin-1-ylspiro(fluorene-9,5'-isothiazolidine)

Chemical Property:

• Boiling Point: 602°Cat760mmHg
• Flash Point: 317.9°C
• Density: 1.29g/cm³
• XLogP3: 6.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 440.19223469
• Heavy Atom Count: 32
• Complexity: 663

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C(N(SC12C3=CC=CC=C3C4=CC=CC=C24)C(=O)C5=CC=CC=C5)N6CCCCC6

Technology Process of 2'-Benzoyl-4'-methyl-3'-piperidin-1-ylspiro(fluorene-9,5'-isothiazolidine)

There total 5 articles about 2'-Benzoyl-4'-methyl-3'-piperidin-1-ylspiro(fluorene-9,5'-isothiazolidine) 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:

benzamide (55-21-0,27208-38-4) → 2'-benzoyl-4'-methyl-3'-piperidin-1-yl-spiro[fluorene-9,5'-isothiazolidine] (39593-88-9)

Guidance literature:

Multi-step reaction with 4 steps

1: Et₃N / diethyl ether; tetrahydrofuran

2: SCl₂

4: (i) Et₃N, THF, -78 grad, (ii) /BRN= 1910/

With sulfur dichloride; triethylamine; In tetrahydrofuran; diethyl ether;

DOI:10.1021/jo00933a014

Reference yield:

1-(1-propenyl)piperidine (24461-40-3) + benzoylimino-fluoren-9-yl-sulfonium betaine (39593-85-6) → 2'-benzoyl-4't-methyl-3'r-piperidin-1-yl-spiro[fluorene-9,5'-isothiazolidine] (39593-88-9)

Guidance literature:

Multistep reaction; (i) HCl, THF, (ii) /BRN= 1280886/;

DOI:10.1021/ja00782a069

Reference yield:

N-benzoyl-S-chloro-thiohydroxylamine (39593-81-2) → 2'-benzoyl-4'-methyl-3'-piperidin-1-yl-spiro[fluorene-9,5'-isothiazolidine] (39593-88-9)

Guidance literature:

Multi-step reaction with 2 steps

2: (i) Et₃N, THF, -78 grad, (ii) /BRN= 1910/

DOI:10.1021/jo00933a014

upstream raw materials:

N-(1-propenyl)piperidine

N-benzoyl-S-(9-chloro-fluoren-9-yl)-thiohydroxylamine

N-benzoyl-S-chloro-thiohydroxylamine

benzamide

Downstream raw materials:

2'-benzoyl-4'-methyl-3'-piperidin-1-yl-spiro[fluorene-9,5'-isothiazolidine] 1'-oxide

2'-benzoyl-4't-methyl-3'r-piperidin-1-yl-spiro[fluorene-9,5'-isothiazolidine] 1'ξ-oxide