1,2,3,4-Tetrahydro-4,4-dimethylnaphthalene-1-carbonitrile

Base Information

Chemical Name:1,2,3,4-Tetrahydro-4,4-dimethylnaphthalene-1-carbonitrile
CAS No.:78103-84-1
Molecular Formula:C13H15 N
Molecular Weight:185.269
Hs Code.:2926909090
European Community (EC) Number:278-837-8
DSSTox Substance ID:DTXSID10888533
Nikkaji Number:J319.723I
Mol file:78103-84-1.mol

Synonyms:78103-84-1;1,2,3,4-Tetrahydro-4,4-dimethylnaphthalene-1-carbonitrile;4,4-dimethyl-1,2,3,4-tetrahydronaphthalene-1-carbonitrile;4,4-dimethyl-2,3-dihydro-1H-naphthalene-1-carbonitrile;EINECS 278-837-8;1-Naphthalenecarbonitrile, 1,2,3,4-tetrahydro-4,4-dimethyl-;SCHEMBL7947851;1,1-dimethyl-4-cyano-tetralin;DTXSID10888533;4,4-Dimethyltetralin-1-carbonitrile;CS-0242499;EN300-250442

Suppliers and Price of 1,2,3,4-Tetrahydro-4,4-dimethylnaphthalene-1-carbonitrile

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

AK Scientific
1,2,3,4-Tetrahydro-4,4-dimethylnaphthalene-1-carbonitrile
500mg
$ 671.00

AK Scientific
1,2,3,4-Tetrahydro-4,4-dimethylnaphthalene-1-carbonitrile
1g
$ 831.00

aablocks
4,4-Dimethyl-1,2,3,4-tetrahydronaphthalene-1-carbonitrile 95%
1g
$ 711.00

aablocks
4,4-Dimethyl-1,2,3,4-tetrahydronaphthalene-1-carbonitrile 95%
500mg
$ 565.00

aablocks
4,4-Dimethyl-1,2,3,4-tetrahydronaphthalene-1-carbonitrile 95%
100mg
$ 254.00

Total 6 raw suppliers

Chemical Property of 1,2,3,4-Tetrahydro-4,4-dimethylnaphthalene-1-carbonitrile

Chemical Property:

Vapor Pressure:0.000414mmHg at 25°C
Boiling Point:316.3°C at 760 mmHg
Flash Point:117.2°C
PSA：23.79000
Density:1.02g/cm³
LogP:3.36518
XLogP3:3.4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:0
Exact Mass:185.120449483
Heavy Atom Count:14
Complexity:258

Purity/Quality:

99% ^*data from raw suppliers

1,2,3,4-Tetrahydro-4,4-dimethylnaphthalene-1-carbonitrile ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1(CCC(C2=CC=CC=C21)C#N)C

Technology Process of 1,2,3,4-Tetrahydro-4,4-dimethylnaphthalene-1-carbonitrile

There total 5 articles about 1,2,3,4-Tetrahydro-4,4-dimethylnaphthalene-1-carbonitrile 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: 92.0%

: 38179-48-5
5-methyl-2-phenylhex-4-enenitrile

: 78103-84-1
ethyl 1-cyano-1,2,3,4-tetrahydro-4,4-dimethylnaphthalene-1-carboxylate

Guidance literature:: With PPA; phosphoric acid; In toluene;

Reference yield:

: 1323928-41-1
C₁₆H₁₉NO₂

: 78103-84-1
ethyl 1-cyano-1,2,3,4-tetrahydro-4,4-dimethylnaphthalene-1-carboxylate

Guidance literature:: Multi-step reaction with 2 steps

1: water / dimethyl sulfoxide / 2 h / Reflux

2: bismuth(lll) trifluoromethanesulfonate / nitromethane / 2 h / Reflux; Inert atmosphere

With bismuth(lll) trifluoromethanesulfonate; water; In nitromethane; dimethyl sulfoxide; 2: Friedel Crafts alkylation;
DOI:10.1002/ejoc.201100213

Reference yield:

: 4553-07-5
ethyl phenylcyanoacetate

: 78103-84-1
ethyl 1-cyano-1,2,3,4-tetrahydro-4,4-dimethylnaphthalene-1-carboxylate

Guidance literature:: Multi-step reaction with 3 steps

1.1: sodium hydride / tetrahydrofuran / 0.5 h / 20 °C / Inert atmosphere

1.2: 2 h / 20 °C / Inert atmosphere

2.1: water / dimethyl sulfoxide / 2 h / Reflux

3.1: bismuth(lll) trifluoromethanesulfonate / nitromethane / 2 h / Reflux; Inert atmosphere

With bismuth(lll) trifluoromethanesulfonate; water; sodium hydride; In tetrahydrofuran; nitromethane; dimethyl sulfoxide; 3.1: Friedel Crafts alkylation;
DOI:10.1002/ejoc.201100213