spiro[chromene-2,4'-piperidin]-4(3H)-one

Base Information

• Chemical Name: spiro[chromene-2,4'-piperidin]-4(3H)-one
• CAS No.: 136081-84-0
• Molecular Formula: C13H15NO2
• Molecular Weight: 217.268
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID20365981
• Wikidata: Q82151025
• Mol file: 136081-84-0.mol

Synonyms:spiro(chroman-2,4'-piperidin)-4-one

Chemical Property of spiro[chromene-2,4'-piperidin]-4(3H)-one

Chemical Property:

• Refractive Index: 1.594
• Boiling Point: 382.2°Cat760mmHg
• Flash Point: 185°C
• PSA: 38.33000
• Density: 1.21g/cm³
• LogP: 2.10280
• Storage Temp.: 2-8°C
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 217.110278721
• Heavy Atom Count: 16
• Complexity: 284

Purity/Quality:

97% ^*data from raw suppliers

Spiro[chromene-2,4'-piperidin]-4-(3H)-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CNCCC12CC(=O)C3=CC=CC=C3O2

Technology Process of spiro[chromene-2,4'-piperidin]-4(3H)-one

There total 8 articles about spiro[chromene-2,4'-piperidin]-4(3H)-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: 98.0%

benzyl 4-oxospiro[chromane-2,4'-piperidine]-1'-carboxylate (873779-32-9) → spiro[chroman-2,4'-piperidin]-4-one (136081-84-0)

Guidance literature:

With hydrogen; palladium 10% on activated carbon; In isopropyl alcohol; at 25 ℃;

Reference yield: 93.7%

tert-butyl 4-oxo-3,4-dihydro-1'H-spiro[chromene-2,4'-piperidine]-1'-carboxylate (849928-22-9) → spiro[chroman-2,4'-piperidin]-4-one (136081-84-0)

Guidance literature:

tert-butyl 4-oxo-3,4-dihydro-1'H-spiro[chromene-2,4'-piperidine]-1'-carboxylate; With trifluoroacetic acid; In dichloromethane;

With sodium hydroxide; In water; pH=~ 14;

Reference yield:

benzyl 4-oxo-1-piperidinecarboxylate (19099-93-5) → spiro[chroman-2,4'-piperidin]-4-one (136081-84-0)

Guidance literature:

Multi-step reaction with 2 steps

1: pyrrolidine / methanol / 20 h / 80 °C

2: hydrogen / palladium 10% on activated carbon / isopropyl alcohol / 25 °C

With pyrrolidine; hydrogen; palladium 10% on activated carbon; In methanol; isopropyl alcohol;

upstream raw materials:

1'-acetylspiro[chromene-2,4'-piperidin]-4(3H)-one

1-acetyl-4-piperidinone

o-hydroxyacetophenone

tert-butyl 4-oxo-3,4-dihydro-1'H-spiro[chromene-2,4'-piperidine]-1'-carboxylate

Downstream raw materials:

C₁₃H₁₇NO₂

spiro[chroman-2,4’-piperidine]

(4-isopropoxy-3-methoxy-phenyl)-(4-methoxyspiro[chromane-2,4'-piperidine]-1'-yl)methanone

(4-isopropoxy-3-methoxy-phenyl)-[4-(2-methylsulfonylethoxy)spiro[chromane-2,4'-piperidine]-1'-yl]methanone

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