(E)-3,4-Dihydro-2-((4-methylphenyl)methylene)-1(2H)-naphthalenone

Base Information

• Chemical Name: (E)-3,4-Dihydro-2-((4-methylphenyl)methylene)-1(2H)-naphthalenone
• CAS No.: 59082-26-7
• Molecular Formula: C18H16 O
• Molecular Weight: 248.324
• European Community (EC) Number: 688-772-0
• DSSTox Substance ID: DTXSID701163707
• Nikkaji Number: J1.110.789C,J713.407J,J713.408H
• Wikidata: Q76119818
• ChEMBL ID: CHEMBL29733
• Mol file: 59082-26-7.mol

Synonyms:59082-26-7;(E)-3,4-Dihydro-2-((4-methylphenyl)methylene)-1(2H)-naphthalenone;54752-30-6;(2E)-2-[(4-Methylphenyl)methylidene]-1,2,3,4-tetrahydronaphthalen-1-one;(2E)-2-[(4-methylphenyl)methylidene]-3,4-dihydronaphthalen-1-one;2-(4-METHYLBENZYLIDENE)-1-TETRALONE;1(2H)-Naphthalenone, 3,4-dihydro-2-((4-methylphenyl)methylene)-, (E)-;2-(4-Methylbenzylidene)-3,4-dihydronaphthalen-1(2H)-one;2-(4-methylbenzylidene)-1,2,3,4-tetrahydronaphthalen-1-one;CHEMBL29733;DTXSID701163707;AKOS000478496;2-(4-Methylbenzylidene)tetralin-1-one;2-(4-Methylphenylmethylene)-1-tetralone;NCGC00324139-01;LS-95073;(2E)-2-(p-tolylmethylene)tetralin-1-one;(e)-2-(4'-methylbenzylidene)-1-tetralone;(2E)-2-(4-Methylbenzylidene)tetralin-1-one;(2Z)-2-(4-Methylbenzylidene)tetralin-1-one;AB00709245-01;AB00709245-03;AO-476/40652476;2-(4-methylbenzylidene)-3,4-dihydro-1(2H)-naphthalenone;(2E)-2-(4-methylbenzylidene)-3,4-dihydronaphthalen-1(2H)-one;(2E)-3,4-Dihydro-2-[(4-methylphenyl)methylene]-1(2H)-naphthalenone

Chemical Property of (E)-3,4-Dihydro-2-((4-methylphenyl)methylene)-1(2H)-naphthalenone

Chemical Property:

• Vapor Pressure: 4.84E-07mmHg at 25°C
• Boiling Point: 413.3°C at 760 mmHg
• Flash Point: 181.9°C
• PSA: 17.07000
• Density: 1.145g/cm³
• LogP: 4.20750
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 248.120115130
• Heavy Atom Count: 19
• Complexity: 360

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)C=C2CCC3=CC=CC=C3C2=O
• Isomeric SMILES: CC1=CC=C(C=C1)/C=C/2\CCC3=CC=CC=C3C2=O

Technology Process of (E)-3,4-Dihydro-2-((4-methylphenyl)methylene)-1(2H)-naphthalenone

There total 4 articles about (E)-3,4-Dihydro-2-((4-methylphenyl)methylene)-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: 98.1%

4-methyl-benzaldehyde (104-87-0) + 3,4-dihydronaphthalene-1(2H)-one (529-34-0) → (E)-2-(4-methylbenzylidene)-3,4-dihydro-2H-naphthalen-1-one (59082-26-7)

Guidance literature:

With potassium hydroxide; In ethanol; at 25 ℃; for 16h;

DOI:10.1016/0223-5234(90)90010-Z

Reference yield: 95.0%

4-methyl-benzaldehyde (104-87-0) + 3,4-dihydronaphthalene-1(2H)-one (529-34-0) → 2-p-methylbenzylidene-1-tetralone (54752-30-6,59082-26-7,59082-38-1)

Guidance literature:

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

DOI:10.1002/anie.201710271

Reference yield: 79.0%

→ (E)-2-(4-methylbenzylidene)-3,4-dihydro-2H-naphthalen-1-one (59082-26-7)

Guidance literature:

With sodium hydroxide; In ethanol; at 20 ℃; for 24h; Cooling with ice;

upstream raw materials:

4-methyl-benzaldehyde

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

Downstream raw materials:

2-p-Tolylmethylen-1-tetralol

1-(trifluoromethylthio)-(E)-(2-(4-methylbenzylidene))-1,2,3,4-tetrahydronaphthalene

2-phenyl-4-(4-methylphenyl)-3,4,5,6-tetrahydrobenzoquinazoline

4'-(4-methylphenyl)-1,2,3,4,4',5'-hexahydro-3'H-naphthalene-2-spiro-3'-pyrazol-1-one