4a-Methyl-7-(prop-1-en-2-yl)-4,4a,5,6,7,8-hexahydronaphthalen-2(3h)-one

Base Information

• Chemical Name: 4a-Methyl-7-(prop-1-en-2-yl)-4,4a,5,6,7,8-hexahydronaphthalen-2(3h)-one
• CAS No.: 5208-62-8
• Molecular Formula: C14H20O
• Molecular Weight: 204.308
• NSC Number: 126336
• DSSTox Substance ID: DTXSID70298816

Synonyms:5208-62-8;4a-methyl-7-(prop-1-en-2-yl)-4,4a,5,6,7,8-hexahydronaphthalen-2(3h)-one;NSC126336;SCHEMBL13356524;DTXSID70298816;NSC-126336

Chemical Property of 4a-Methyl-7-(prop-1-en-2-yl)-4,4a,5,6,7,8-hexahydronaphthalen-2(3h)-one

Chemical Property:

• Vapor Pressure: 0.000487mmHg at 25°C
• Boiling Point: 313.7°Cat760mmHg
• Flash Point: 136.3°C
• Density: 0.97g/cm³
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 204.151415257
• Heavy Atom Count: 15
• Complexity: 337

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=C)C1CCC2(CCC(=O)C=C2C1)C

Technology Process of 4a-Methyl-7-(prop-1-en-2-yl)-4,4a,5,6,7,8-hexahydronaphthalen-2(3h)-one

There total 22 articles about 4a-Methyl-7-(prop-1-en-2-yl)-4,4a,5,6,7,8-hexahydronaphthalen-2(3h)-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: 100.0%

11-chloro-14-noreudesm-4-en-3-one (73890-13-8) → 7(R)-Isopropenyl-4a(S)-methyl-4,4a,5,6,7,8-hexahydronaphthalen-2(3H)-one (13918-47-3,5208-62-8)

Guidance literature:

With sodium acetate; In acetic acid; at 100 ℃; for 3h;

DOI:10.1021/jo00029a025

Reference yield: 94.0%

8aβ-hydroxy-7α-isopropenyl-4aβ-methyl-1,4,4a,5,6,7,8,8a-octahydro-2(3H)-naphthalenone (4895-25-4) → 7α-isopropenyl-4aβ-methyl-4,4a,5,6,7,8-hexahydro-2(3H)-naphthalenone (93860-80-1,5208-62-8)

Guidance literature:

With potassium hydroxide; at 90 - 105 ℃; for 7h;

DOI:10.1021/jo00202a019

Reference yield: 91.0%

(4aR,7R,8aR)-8a-hydroxy-7-isopropenyl-4a-methyloctahydro-2(1H)-naphthalenone (13567-75-4) → (-)-(4aR,7R)-4,4a,5,6,7,8-hexahydro-7-isopropenyl-4a-methylnaphthalene-2(3H)-one (13567-79-8,5208-62-8)

Guidance literature:

With potassium hydroxide; In ethanol; for 1h; Heating;

DOI:10.1016/0040-4020(89)80143-7

upstream raw materials:

8aβ-hydroxy-7α-isopropenyl-4aβ-methyl-1,4,4a,5,6,7,8,8a-octahydro-2(3H)-naphthalenone

(-)-dihydrocarvone

methyl vinyl ketone

4-chloro-2-butanone

Downstream raw materials:

(-)-Solavetivone

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