3,7-Dimethyl-5-(propan-2-yl)-1H-inden-1-one

Base Information

• Chemical Name: 3,7-Dimethyl-5-(propan-2-yl)-1H-inden-1-one
• CAS No.: 91813-77-3
• Molecular Formula: C14H16O
• DSSTox Substance ID: DTXSID80557860
• Nikkaji Number: J426.412F
• Wikidata: Q82439907

Synonyms:91813-77-3;3,7-Dimethyl-5-(propan-2-yl)-1H-inden-1-one;DTXSID80557860

Chemical Property of 3,7-Dimethyl-5-(propan-2-yl)-1H-inden-1-one

Chemical Property:

• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 200.120115130
• Heavy Atom Count: 15
• Complexity: 301

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=CC2=C1C(=O)C=C2C)C(C)C

Technology Process of 3,7-Dimethyl-5-(propan-2-yl)-1H-inden-1-one

There total 5 articles about 3,7-Dimethyl-5-(propan-2-yl)-1H-inden-1-one 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: 30.4%

<5,6'-biguaiazulene>-3,3'-(5H,6'H)-dione (125042-09-3) → mansonone C (5574-34-5) + 5-isopropylidene-3,8-dimethyl-1(5H)-azulenone (111873-87-1) + 5-isopropyl-3,7-dimethyl-1H-inden-1-one (91813-77-3) + 3(6H)-guaiazulenone

Guidance literature:

With oxygen; In chloroform; at 25 ℃; for 24h; Further byproducts given;

DOI:10.1246/bcsj.62.2040

Reference yield: 1.0%

7-isopropyl-1,4-dimethyl-azulene (489-84-9) → 5-isopropyl-3,8-dimethylazulene-1-carbaldehyde (3331-47-3) + 5-isopropyl-3,7-dimethyl-1H-inden-1-one (91813-77-3) + 5-isopropyl-3,8-dimethyl-1,7-azulenequinone (91813-75-1) + N-(2-guaiazulenylmethyl)-N-methylformamide (91813-76-2)

Guidance literature:

With oxygen; In N,N-dimethyl-formamide; at 100 ℃; for 24h; Further byproducts given;

DOI:10.1246/cl.1984.627

Reference yield: 0.5%

7-isopropyl-1,4-dimethyl-azulene (489-84-9) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → 5-isopropyl-3,8-dimethylazulene-1-carbaldehyde (3331-47-3) + 5-isopropyl-3,7-dimethyl-1H-inden-1-one (91813-77-3) + 5-isopropyl-3,7-dimethyl-1-oxo-1H-indene-6-carbaldehyde (91813-78-4) + N-(2-guaiazulenylmethyl)-N-methylformamide (91813-76-2)

Guidance literature:

With oxygen; at 100 ℃; for 24h; Further byproducts given;

DOI:10.1246/cl.1984.627

upstream raw materials:

7-isopropyl-1,4-dimethyl-azulene

1-(3-guaiazulenyl)-6a-isopropyl-2,5-dimethyl-1,1a,3,6a-tetrahydrocyclopropainden-3-one

N,N-dimethyl-formamide

<5,6'-biguaiazulene>-3,3'-(5H,6'H)-dione

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