Agn-PC-0NB5HA

Base Information

• Chemical Name: Agn-PC-0NB5HA
• CAS No.: 87173-82-8
• Molecular Formula: C15H20O
• Molecular Weight: 216.323
• DSSTox Substance ID: DTXSID10445387
• Mol file: 87173-82-8.mol

Synonyms:AGN-PC-0NB5HA;87173-82-8;DTXSID10445387

Chemical Property of Agn-PC-0NB5HA

Chemical Property:

• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 216.151415257
• Heavy Atom Count: 16
• Complexity: 246

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)C(C)CC(=O)CC(=C)C

Technology Process of Agn-PC-0NB5HA

There total 12 articles about Agn-PC-0NB5HA 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:

ethyl 3-(4-methylphenyl)-2-butenoate (94853-53-9,115819-11-9,6305-61-9) → methyl-2 (methyl-4 phenyl)-6 heptene-1 one-4 (87173-82-8)

Guidance literature:

Multi-step reaction with 3 steps

1: 97 percent / H₂ / Pd/C (10percent) / ethanol / Ambient temperature

2: 77 percent / Mg / tetrahydrofuran; diethyl ether / 16 h / Heating

3: KH / hexamethylphosphoric acid triamide / 1.) room temp., 1 h; 2.) 40 deg C, 1 h

With hydrogen; potassium hydride; magnesium; palladium on activated charcoal; In tetrahydrofuran; N,N,N,N,N,N-hexamethylphosphoric triamide; diethyl ether; ethanol;

DOI:10.1002/hlca.19870700721

Reference yield:

para-methylacetophenone (122-00-9) → methyl-2 (methyl-4 phenyl)-6 heptene-1 one-4 (87173-82-8)

Guidance literature:

Multi-step reaction with 4 steps

1: 84 percent / NaH / tetrahydrofuran; paraffin / 24 h / Heating

2: 97 percent / H₂ / Pd/C (10percent) / ethanol / Ambient temperature

3: 77 percent / Mg / tetrahydrofuran; diethyl ether / 16 h / Heating

4: KH / hexamethylphosphoric acid triamide / 1.) room temp., 1 h; 2.) 40 deg C, 1 h

With hydrogen; potassium hydride; sodium hydride; magnesium; palladium on activated charcoal; In tetrahydrofuran; N,N,N,N,N,N-hexamethylphosphoric triamide; diethyl ether; ethanol; paraffin;

DOI:10.1002/hlca.19870700721

Reference yield:

(+/-)-ethyl 3-(4-methylphenyl)butanoate (6090-00-2) → methyl-2 (methyl-4 phenyl)-6 heptene-1 one-4 (87173-82-8)

Guidance literature:

Multi-step reaction with 2 steps

1: 77 percent / Mg / tetrahydrofuran; diethyl ether / 16 h / Heating

2: KH / hexamethylphosphoric acid triamide / 1.) room temp., 1 h; 2.) 40 deg C, 1 h

With potassium hydride; magnesium; In tetrahydrofuran; N,N,N,N,N,N-hexamethylphosphoric triamide; diethyl ether;

DOI:10.1002/hlca.19870700721

upstream raw materials:

(2-methylallyl)magnesium bromide

(E)-N-phenyl butene-2 imidothioate de methyle

para-methylphenylmagnesium bromide

2-methylallylmagnesium chloride

Downstream raw materials:

(+/-)-ar-turmerone