2-(2-Pyridylmethylene)-3,4-dihydro-1(2H)-naphthalenone

Base Information

• Chemical Name: 2-(2-Pyridylmethylene)-3,4-dihydro-1(2H)-naphthalenone
• CAS No.: 13640-50-1
• Molecular Formula: C16H13NO
• Molecular Weight: 235.2805
• NSC Number: 270711
• UNII: 7ZV7HN2CKA
• Nikkaji Number: J2.380.995H,J723.097D
• Wikidata: Q76310560
• ChEMBL ID: CHEMBL424203
• Mol file: 13640-50-1.mol

Synonyms:2-(2-Pyridylmethylene)-3,4-dihydro-1(2H)-naphthalenone;NSC 270711;BRN 1461621;CHEMBL424203;13640-50-1;1(2H)-NAPHTHALENONE, 3,4-DIHYDRO-2-(2-PYRIDYLMETHYLENE)-;NSC-270711;(2E)-2-(pyridin-2-ylmethylidene)-3,4-dihydronaphthalen-1-one;5-21-09-00177 (Beilstein Handbook Reference);MLS003115410;NSC270711;Bio7D8;7ZV7HN2CKA;cid_26160;HMS562P07;BDBM50049770;2-(2-Pyridinylmethylene)tetralin-1-one;LS-95091;3,4-Dihydro-2-(2-pyridinylmethylene)-1(2H)-naphthalenone;(2E)-3,4-Dihydro-2-(2-pyridinylmethylene)-1(2H)-naphthalenone;2-(pyridin-2-ylmethylidene)-3,4-dihydronaphthalen-1-one, (2E)-;3,4-Dihydro-2-[(E)-(2-pyridinyl)methylene]naphthalen-1(2H)-one;1(2H)-Naphthalenone, 3,4-dihydro-2-(2-pyridinylmethylene)-, (2E)-;2-[1-Pyridin-2-yl-meth-(E)-ylidene]-3,4-dihydro-2H-naphthalen-1-one

Chemical Property of 2-(2-Pyridylmethylene)-3,4-dihydro-1(2H)-naphthalenone

Chemical Property:

• Vapor Pressure: 4.97E-07mmHg at 25°C
• Boiling Point: 413°C at 760 mmHg
• Flash Point: 209.8°C
• Density: 1.214g/cm³
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 235.099714038
• Heavy Atom Count: 18
• Complexity: 347

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(=CC2=CC=CC=N2)C(=O)C3=CC=CC=C31
• Isomeric SMILES: C1C/C(=C\C2=CC=CC=N2)/C(=O)C3=CC=CC=C31

Technology Process of 2-(2-Pyridylmethylene)-3,4-dihydro-1(2H)-naphthalenone

There total 3 articles about 2-(2-Pyridylmethylene)-3,4-dihydro-1(2H)-naphthalenone 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: 82.0%

pyridine-2-carbaldehyde (1121-60-4) + 3,4-dihydronaphthalene-1(2H)-one (529-34-0) → 2-pyridinyl tetralone (13640-50-1)

Guidance literature:

With sodium hydroxide; In ethanol; at 0 - 20 ℃; for 12h;

Reference yield: 56.0%

pyridine-2-carbaldehyde (1121-60-4) + 3,4-dihydronaphthalene-1(2H)-one (529-34-0) → 2-(2-pyridylmethylidene)-1-tetralone (13640-50-1)

Guidance literature:

With piperidine; acetic acid; at 130 ℃; for 1.5h;

DOI:10.1021/jm950377t

Reference yield:

→ 2-pyridinyl tetralone (13640-50-1)

Guidance literature:

DOI:10.1002/jps.2600560523

upstream raw materials:

pyridine-2-carbaldehyde

3,4-dihydronaphthalene-1(2H)-one

Downstream raw materials:

C₂₄H₁₈N₂

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