4H-Naphtho(1,2-b)pyran-4-one, 2-(1-piperidinyl)-

Base Information

• Chemical Name: 4H-Naphtho(1,2-b)pyran-4-one, 2-(1-piperidinyl)-
• CAS No.: 61035-05-0
• Molecular Formula: C18H17NO2
• Molecular Weight: 279.3331
• DSSTox Substance ID: DTXSID60209911
• Wikidata: Q83084400
• ChEMBL ID: CHEMBL367468

Synonyms:K 12212;BRN 0415699;4H-Naphtho(1,2-b)pyran-4-one, 2-(1-piperidinyl)-;CHEMBL367468;2-(1-Piperidinyl)-4H-naphtho(1,2-b)pyran-4-one;2-(N-Piperidil)-4-oxo-4H-nafto(1,2-b)pirano [Italian];2-(piperidin-1-yl)-4H-benzo[h]chromen-4-one;2-(N-Piperidil)-4-oxo-4H-nafto(1,2-b)pirano;61035-05-0;D0B9EZ;SCHEMBL3538224;DTXSID60209911;BDBM50159645;2-Piperidin-1-yl-benzo[h]chromen-4-one;LS-95581;PD180076

Chemical Property of 4H-Naphtho(1,2-b)pyran-4-one, 2-(1-piperidinyl)-

Chemical Property:

• Vapor Pressure: 5.03E-08mmHg at 25°C
• Boiling Point: 442.4°Cat760mmHg
• Flash Point: 221.4°C
• Density: 1.267g/cm³
• XLogP3: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 279.125928785
• Heavy Atom Count: 21
• Complexity: 439

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCN(CC1)C2=CC(=O)C3=C(O2)C4=CC=CC=C4C=C3

Technology Process of 4H-Naphtho(1,2-b)pyran-4-one, 2-(1-piperidinyl)-

There total 4 articles about 4H-Naphtho(1,2-b)pyran-4-one, 2-(1-piperidinyl)- 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: 32.0%

1-(1-hydroxynaphth-2-yl)-3-(piperidin-4-yl)propan-1,3-dione → 2-Piperidin-1-yl-benzo[h]chromen-4-one (61035-05-0)

Guidance literature:

With trifluoromethylsulfonic anhydride; In dichloromethane; at 0 ℃; for 20h;

DOI:10.1021/jm049526a

Reference yield:

1-piperidin-1-yl-ethanone (618-42-8) → 2-Piperidin-1-yl-benzo[h]chromen-4-one (61035-05-0)

Guidance literature:

Multi-step reaction with 2 steps

1.1: LDA / tetrahydrofuran; hexane / 1.5 h / -10 °C

1.2: 14 percent / tetrahydrofuran; hexane / 16 h / 25 °C

2.1: 32 percent / triflic anhydride / CH₂Cl₂ / 20 h / 0 °C

With trifluoromethylsulfonic anhydride; lithium diisopropyl amide; In tetrahydrofuran; hexane; dichloromethane;

DOI:10.1021/jm049526a

Reference yield:

1-hydroxy-naphthalene-2-carboxylic acid methyl ester (948-03-8) → 2-Piperidin-1-yl-benzo[h]chromen-4-one (61035-05-0)

Guidance literature:

Multi-step reaction with 2 steps

1.1: LDA / tetrahydrofuran; hexane / 1.5 h / -10 °C

1.2: 14 percent / tetrahydrofuran; hexane / 16 h / 25 °C

2.1: 32 percent / triflic anhydride / CH₂Cl₂ / 20 h / 0 °C

With trifluoromethylsulfonic anhydride; lithium diisopropyl amide; In tetrahydrofuran; hexane; dichloromethane;

DOI:10.1021/jm049526a

upstream raw materials:

1-piperidin-1-yl-ethanone

1-hydroxy-naphthalene-2-carboxylic acid methyl ester

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