2,2-Dimethyl-2H-1-benzopyran-3-carbonitrile

Base Information

Chemical Name:2,2-Dimethyl-2H-1-benzopyran-3-carbonitrile
CAS No.:143661-07-8
Molecular Formula:C₁₂H₁₁NO
Molecular Weight:185.225
Hs Code.:
DSSTox Substance ID:DTXSID701262846
Nikkaji Number:J478.379D

Synonyms:2,2-Dimethyl-2H-1-benzopyran-3-carbonitrile;143661-07-8;DTXSID701262846

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Chemical Property of 2,2-Dimethyl-2H-1-benzopyran-3-carbonitrile

Chemical Property:

XLogP3:2.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:0
Exact Mass:185.084063974
Heavy Atom Count:14
Complexity:308

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC1(C(=CC2=CC=CC=C2O1)C#N)C

Technology Process of 2,2-Dimethyl-2H-1-benzopyran-3-carbonitrile

There total 1 articles about 2,2-Dimethyl-2H-1-benzopyran-3-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: 8.0%

: 4786-24-7
3,3-dimethylacrylonitrile

: 90-02-8
salicylaldehyde

: 143661-07-8
2,2-dimethyl-2H-1-benzopyran-3-carbonitrile

: (2Z,4E)-5-(2-Hydroxy-phenyl)-3-methyl-penta-2,4-dienenitrile

: (2E,4E)-5-(2-Hydroxy-phenyl)-3-methyl-penta-2,4-dienenitrile

Guidance literature:: With potassium carbonate; In N,N-dimethyl-formamide; at 130 ℃; for 8h;

Reference yield:

: 143661-07-8
2,2-dimethyl-2H-1-benzopyran-3-carbonitrile

: 264265-13-6
bis[4-(dimethylamino)phenyl](2,2-dimethyl-3-chromenyl)methanol

Guidance literature:: Multi-step reaction with 3 steps

1.1: sodium hydroxide / H₂O / 8 h / Heating

2.1: 0.35 g / sulfuric acid / 30 h / Heating

3.1: n-butyllithium / diethyl ether; hexane / 0 °C

3.2: 13 percent / diethyl ether; hexane / 24 h / 20 °C

With sodium hydroxide; n-butyllithium; sulfuric acid; In diethyl ether; hexane; water; 1.1: Hydrolysis / 2.1: Esterification / 3.1: Metallation / 3.2: Addition;

Reference yield:

: 143661-07-8
2,2-dimethyl-2H-1-benzopyran-3-carbonitrile

: {4-[(4-dimethylamino-phenyl)-(2,2-dimethyl-2H-chromen-3-yl)-methylene]-cyclohexa-2,5-dienylidene}-dimethyl-ammonium

Guidance literature:: Multi-step reaction with 4 steps

1.1: sodium hydroxide / H₂O / 8 h / Heating

2.1: 0.35 g / sulfuric acid / 30 h / Heating

3.1: n-butyllithium / diethyl ether; hexane / 0 °C

3.2: 13 percent / diethyl ether; hexane / 24 h / 20 °C

4.1: acetic acid

With sodium hydroxide; n-butyllithium; sulfuric acid; acetic acid; In diethyl ether; hexane; water; 1.1: Hydrolysis / 2.1: Esterification / 3.1: Metallation / 3.2: Addition / 4.1: Elimination;