4-[(3,5,5,8,8-Pentamethyl-2-5,8-dihydronaphthyl)carbonyl]benzenecarbonitrile

Base Information

Chemical Name:4-[(3,5,5,8,8-Pentamethyl-2-5,8-dihydronaphthyl)carbonyl]benzenecarbonitrile
CAS No.:364626-69-7
Molecular Formula:C₂₃H₂₃NO
Molecular Weight:329.442
Hs Code.:
DSSTox Substance ID:DTXSID501145305

Synonyms:SCHEMBL14782141;OXQPRRWVFKFQNO-UHFFFAOYSA-N;DTXSID501145305;4-[(3,5,5,8,8-Pentamethyl-2-5,8-dihydronaphthyl)carbonyl]benzenecarbonitrile;364626-69-7;4-[(5,8-Dihydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)carbonyl]benzonitrile

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Chemical Property of 4-[(3,5,5,8,8-Pentamethyl-2-5,8-dihydronaphthyl)carbonyl]benzenecarbonitrile

Chemical Property:

XLogP3:6.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:329.177964357
Heavy Atom Count:25
Complexity:597

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC1=CC2=C(C=C1C(=O)C3=CC=C(C=C3)C#N)C(C=CC2(C)C)(C)C

Technology Process of 4-[(3,5,5,8,8-Pentamethyl-2-5,8-dihydronaphthyl)carbonyl]benzenecarbonitrile

There total 11 articles about 4-[(3,5,5,8,8-Pentamethyl-2-5,8-dihydronaphthyl)carbonyl]benzenecarbonitrile 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: 82.0%

: 1427690-32-1
(E)-1-(6-bromo-3,4-dihydro-1,1,4,4,7-pentamethylnaphthalen-2(1H)-ylidene)-2-tosylhydrazine

: 116332-64-0
(4-cyanophenyl)-N-methoxy-N-methylformamide

: 364626-69-7
4-[(3,5,5,8,8-tetramethyl-2-5,8-dihydronaphthyl)carbonyl]benzenecarbonitrile

Guidance literature:: (E)-1-(6-bromo-3,4-dihydro-1,1,4,4,7-pentamethylnaphthalen-2(1H)-ylidene)-2-tosylhydrazine; With n-butyllithium; In tetrahydrofuran; hexane; at -78 ℃; for 0.333333h; Inert atmosphere;

(4-cyanophenyl)-N-methoxy-N-methylformamide; In tetrahydrofuran; hexane; at -78 ℃; for 0.25h;

Reference yield: 82.0%

: 116332-64-0
(4-cyanophenyl)-N-methoxy-N-methylformamide

: 364626-67-5
6-bromo-1,1,4,4,7-pentamethyl-1,4-dihydronaphthalene

: 364626-69-7
4-[(3,5,5,8,8-tetramethyl-2-5,8-dihydronaphthyl)carbonyl]benzenecarbonitrile

Guidance literature:: 6-bromo-1,1,4,4,7-pentamethyl-1,4-dihydronaphthalene; With n-butyllithium; In tetrahydrofuran; hexane; at -78 ℃; for 0.333333h; Inert atmosphere;

(4-cyanophenyl)-N-methoxy-N-methylformamide; In tetrahydrofuran; hexane; at -78 ℃; for 0.25h; Inert atmosphere;

With hydrogenchloride; In tetrahydrofuran; hexane; water; at 20 ℃; Inert atmosphere;
DOI:10.1021/jm4008517

Reference yield:

: 6068-72-0
4-cyanobenzoyl chlorIde

: 364626-69-7
4-[(3,5,5,8,8-tetramethyl-2-5,8-dihydronaphthyl)carbonyl]benzenecarbonitrile

Guidance literature:: Multi-step reaction with 2 steps

1: 83 percent / K₂CO₃ / H₂O; acetonitrile / 16 h / 20 °C

2: 81 percent / n-BuLi / tetrahydrofuran; hexane / -78 - 20 °C

With n-butyllithium; potassium carbonate; In tetrahydrofuran; hexane; water; acetonitrile;
DOI:10.1021/jo0103064