5-tert-Butyl-3-(dimethylamino)benzene-1,2-dicarbonitrile

Base Information

Chemical Name:5-tert-Butyl-3-(dimethylamino)benzene-1,2-dicarbonitrile
CAS No.:61109-18-0
Molecular Formula:C₁₄H₁₇N₃
Molecular Weight:227.309
Hs Code.:
DSSTox Substance ID:DTXSID20507647
Wikidata:Q82363994

Synonyms:5-tert-Butyl-3-(dimethylamino)benzene-1,2-dicarbonitrile;61109-18-0;DTXSID20507647

Suppliers and Price of 5-tert-Butyl-3-(dimethylamino)benzene-1,2-dicarbonitrile

Supply Marketing:

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

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Chemical Property of 5-tert-Butyl-3-(dimethylamino)benzene-1,2-dicarbonitrile

Chemical Property:

XLogP3:3.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:227.142247555
Heavy Atom Count:17
Complexity:360

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)(C)C1=CC(=C(C(=C1)N(C)C)C#N)C#N

Technology Process of 5-tert-Butyl-3-(dimethylamino)benzene-1,2-dicarbonitrile

There total 8 articles about 5-tert-Butyl-3-(dimethylamino)benzene-1,2-dicarbonitrile 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%

: 506-59-2
N,N-dimethylammonium chloride

: 79319-37-2
3-bromo-5-tert-butylphthalodinitrile

: 61109-18-0
5-tert-butyl-3-dimethylaminophthalonitrile

Guidance literature:: With potassium carbonate; In N,N-dimethyl-formamide; Heating;

Reference yield: 66.0%

: 4367-08-2
copper(II) cyanide

: 61109-19-1
1,2-dibromo-5-tert-butyl-3-dimethylaminobenzene

: 61109-18-0
5-tert-butyl-3-dimethylaminophthalonitrile

Guidance literature:: In N,N-dimethyl-formamide; at 145 - 150 ℃; for 4h;

Reference yield:

: 61024-97-3
3-bromo-5-tert-butyl-o-xylene

: 61109-18-0
5-tert-butyl-3-dimethylaminophthalonitrile

Guidance literature:: Multi-step reaction with 5 steps

1: 92 percent / KMnO₄ / pyridine; H₂O / 90 - 95 °C

2: 65 percent / acetyl chloride / 2 h / Heating

3: 89 percent / urea / 1.5 h / 170 - 175 °C

4: 1) NH₄OH, 2) POCl₃, pyridine / 1) chlorobenzene, 20 deg C, 6 h, 2) 45-50 deg C, 1 h

5: 82 percent / K₂CO₃ / dimethylformamide / Heating

With pyridine; ammonium hydroxide; potassium permanganate; potassium carbonate; acetyl chloride; urea; trichlorophosphate; In pyridine; water; N,N-dimethyl-formamide;