1,1,4,4,7-Pentamethyl-3,4-dihydronaphthalen-2(1h)-one

Base Information

Chemical Name:1,1,4,4,7-Pentamethyl-3,4-dihydronaphthalen-2(1h)-one
CAS No.:29020-85-7
Molecular Formula:C15H20 O
Molecular Weight:216.323
Hs Code.:
NSC Number:27599
DSSTox Substance ID:DTXSID40282722
Wikidata:Q82017071
Mol file:29020-85-7.mol

Synonyms:1,1,4,4,7-pentamethyl-3,4-dihydronaphthalen-2(1h)-one;29020-85-7;1,1,4,4,7-pentamethyl-3H-naphthalen-2-one;2(1H)-Naphthalenone, 3,4-dihydro-1,1,4,4,7-pentamethyl-;1,1,4,4,7-pentamethyl-1,2,3,4-tetrahydronaphthalen-2-one;NSC27599;SCHEMBL6455621;DTXSID40282722;UXXKMBBUGFWBCW-UHFFFAOYSA-N;NSC-27599;1,1,4,4,7-pentamethyl-3,4-dihydro-1h-naphthalen-2-one;3,4-Dihydro-1,1,4,4,7-pentamethylnaphthalen-2(1H)-one

Suppliers and Price of 1,1,4,4,7-Pentamethyl-3,4-dihydronaphthalen-2(1h)-one

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 6 raw suppliers

Chemical Property of 1,1,4,4,7-Pentamethyl-3,4-dihydronaphthalen-2(1h)-one

Chemical Property:

Vapor Pressure:0.000684mmHg at 25°C
Boiling Point:308.3°Cat760mmHg
Flash Point:127.7°C
Density:0.957g/cm³
XLogP3:3.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:0
Exact Mass:216.151415257
Heavy Atom Count:16
Complexity:301

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CC2=C(C=C1)C(CC(=O)C2(C)C)(C)C

Technology Process of 1,1,4,4,7-Pentamethyl-3,4-dihydronaphthalen-2(1h)-one

There total 1 articles about 1,1,4,4,7-Pentamethyl-3,4-dihydronaphthalen-2(1h)-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: 45.0%

: 5455-94-7
2,2,5,5-tetramethyltetrahydro-3-oxofuran

: 108-88-3,15644-74-3,16713-13-6
toluene

: 29020-85-7
1,1,4,4,7-pentamethyl-2-oxo-1,2,3,4-tetrahydronaphthalene

Guidance literature:: With aluminium trichloride; at 0 - 20 ℃; for 2h;
DOI:10.1002/jlcr.2580360712

Reference yield:

: 29020-85-7
1,1,4,4,7-pentamethyl-2-oxo-1,2,3,4-tetrahydronaphthalene

: 153559-45-6
methyl 4-<(5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)carbonyl>benzoate

Guidance literature:: Multi-step reaction with 4 steps

1: 87 percent / LiAlH₄ / diethyl ether / 1 h / Heating

2: 79 percent / POCl₃, pyridine / 100 °C

3: 80 percent / H₂ / 10percent Pd/C / ethyl acetate / 1 h

4: 67 percent / AlCl₃ / CH₂Cl₂ / 0.25 h / Heating

With pyridine; lithium aluminium tetrahydride; aluminium trichloride; hydrogen; trichlorophosphate; palladium on activated charcoal; In diethyl ether; dichloromethane; ethyl acetate;
DOI:10.1002/jlcr.2580360712

Reference yield:

: 29020-85-7
1,1,4,4,7-pentamethyl-2-oxo-1,2,3,4-tetrahydronaphthalene

: 153559-49-0
bexarotene

Guidance literature:: Multi-step reaction with 6 steps

1: 87 percent / LiAlH₄ / diethyl ether / 1 h / Heating

2: 79 percent / POCl₃, pyridine / 100 °C

3: 80 percent / H₂ / 10percent Pd/C / ethyl acetate / 1 h

4: 67 percent / AlCl₃ / CH₂Cl₂ / 0.25 h / Heating

5: 1.) NaNH₂ / 1.) THF, 1 h, 2.) THF, 30 min

6: 85 percent / aq. 5N KOH / methanol / 0.17 h / Heating

With pyridine; potassium hydroxide; lithium aluminium tetrahydride; aluminium trichloride; hydrogen; sodium amide; trichlorophosphate; palladium on activated charcoal; In methanol; diethyl ether; dichloromethane; ethyl acetate;
DOI:10.1002/jlcr.2580360712