3-Chloro-4-piperidinocoumarin

Base Information

• Chemical Name: 3-Chloro-4-piperidinocoumarin
• CAS No.: 36048-07-4
• Molecular Formula: C14H14ClNO2
• Molecular Weight: 263.7195
• Hs Code.: 2934999090
• NSC Number: 203310
• UNII: C39DUZ76W3
• DSSTox Substance ID: DTXSID00189607
• Nikkaji Number: J48.488A
• Wikidata: Q83061768
• Mol file: 36048-07-4.mol

Synonyms:3-Chloro-4-piperidinocoumarin;36048-07-4;COUMARIN, 3-CHLORO-4-PIPERIDINO-;2H-1-Benzopyran-2-one, 3-chloro-4-(1-piperidinyl)-;NSC 203310;BRN 0241273;C39DUZ76W3;NSC-203310;3-chloro-4-(piperidin-1-yl)-2H-chromen-2-one;3-Chloro-4-(1-piperidinyl)-2H-1-benzopyran-2-one;NSC203310;UNII-C39DUZ76W3;DTXSID00189607;WLN: T66 BOVJ DG E- AT6NTJ;LS-55146

Chemical Property of 3-Chloro-4-piperidinocoumarin

Chemical Property:

• Vapor Pressure: 1.17E-06mmHg at 25°C
• Boiling Point: 401.5°Cat760mmHg
• Flash Point: 196.6°C
• PSA: 33.45000
• Density: 1.33g/cm³
• LogP: 3.50170
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 263.0713064
• Heavy Atom Count: 18
• Complexity: 374

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCN(CC1)C2=C(C(=O)OC3=CC=CC=C32)Cl

Technology Process of 3-Chloro-4-piperidinocoumarin

There total 3 articles about 3-Chloro-4-piperidinocoumarin 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:

3-Chlor-4-hydroxy-2-oxo-2H<1>benzopyran (23029-98-3) → 3-chloro-4-piperidino-coumarin (36048-07-4)

Guidance literature:

Multi-step reaction with 2 steps

1: pyridine; phosphoryl chloride

2: ethanol

With pyridine; ethanol; trichlorophosphate;

DOI:10.1021/ja01518a062

Reference yield:

phenol (108-95-2,27073-41-2) → 3-chloro-4-piperidino-coumarin (36048-07-4)

Guidance literature:

Multi-step reaction with 2 steps

1: aluminium chloride; carbon disulfide / Behandeln des Reaktionsprodukts mit wss. Schwefelsaeure

2: ethanol

With carbon disulfide; aluminium trichloride; ethanol;

DOI:10.1021/ja01518a062

Reference yield:

piperidine (110-89-4) + 3,4-dichloro-2H-chromen-2-one (5117-56-6) → 3-chloro-4-piperidino-coumarin (36048-07-4)

Guidance literature:

With ethanol;

DOI:10.1021/ja01518a062

upstream raw materials:

piperidine

3,4-dichloro-2H-chromen-2-one

3-Chlor-4-hydroxy-2-oxo-2H<1>benzopyran

phenol