Phenalen-1-one, 2,3-dihydro-2,5,8-trimethyl-

Base Information

• Chemical Name: Phenalen-1-one, 2,3-dihydro-2,5,8-trimethyl-
• CAS No.: 53863-86-8
• Molecular Formula: C16H16O
• Molecular Weight: 224.2976
• DSSTox Substance ID: DTXSID00968636
• Mol file: 53863-86-8.mol

Synonyms:53863-86-8;Phenalen-1-one, 2,3-dihydro-2,5,8-trimethyl-;DTXSID00968636;2,5,8-trimethyl-2,3-dihydro-1H-phenalen-1-one;Phenalen-1-one, 2,3-dihydro-2,5,8-trimethyl-,

Chemical Property of Phenalen-1-one, 2,3-dihydro-2,5,8-trimethyl-

Chemical Property:

• Vapor Pressure: 1.75E-06mmHg at 25°C
• Boiling Point: 396.1°Cat760mmHg
• Flash Point: 174.9°C
• Density: 1.112g/cm³
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 224.120115130
• Heavy Atom Count: 17
• Complexity: 322

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CC2=CC(=CC3=C2C(=CC(=C3)C)C1=O)C

Technology Process of Phenalen-1-one, 2,3-dihydro-2,5,8-trimethyl-

There total 7 articles about Phenalen-1-one, 2,3-dihydro-2,5,8-trimethyl- 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:

2,7-dimethylnaphthalene (582-16-1) → 1-Oxo-2,5,8-trimethyl-2,3-dihydrophenalen (53863-86-8)

Guidance literature:

Multi-step reaction with 7 steps

1: Br₂

2: HCl, H₃PO₄

3: (i) NaOEt, (ii) /BRN= 2262298/

4: aq. KOH

5: (decarboxylation)

6: aq. NaOH / Raney-Ni

7: HF

With hydrogenchloride; potassium hydroxide; sodium hydroxide; phosphoric acid; hydrogen fluoride; bromine; nickel;

DOI:10.1055/s-1974-23372

Reference yield:

1-bromo-2,7-dimethylmaphthalene (37558-62-6) → 1-Oxo-2,5,8-trimethyl-2,3-dihydrophenalen (53863-86-8)

Guidance literature:

Multi-step reaction with 6 steps

1: HCl, H₃PO₄

2: (i) NaOEt, (ii) /BRN= 2262298/

3: aq. KOH

4: (decarboxylation)

5: aq. NaOH / Raney-Ni

6: HF

With hydrogenchloride; potassium hydroxide; sodium hydroxide; phosphoric acid; hydrogen fluoride; nickel;

DOI:10.1055/s-1974-23372

Reference yield:

1-Brom-5-chlormethyl-2,7-dimethylnaphthalin (53863-77-7) → 1-Oxo-2,5,8-trimethyl-2,3-dihydrophenalen (53863-86-8)

Guidance literature:

Multi-step reaction with 5 steps

1: (i) NaOEt, (ii) /BRN= 2262298/

2: aq. KOH

3: (decarboxylation)

4: aq. NaOH / Raney-Ni

5: HF

With potassium hydroxide; sodium hydroxide; hydrogen fluoride; nickel;

DOI:10.1055/s-1974-23372

upstream raw materials:

3-(3,6-Dimethylnaphthyl)-2-methylpropionsaeure

2,7-dimethylnaphthalene

1-bromo-2,7-dimethylmaphthalene

1-Brom-5-chlormethyl-2,7-dimethylnaphthalin

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