2-Amino-4,6,6-trimethyl-2,4-cyclohexadiene-1,1,3-tricarbonitrile

Base Information

• Chemical Name: 2-Amino-4,6,6-trimethyl-2,4-cyclohexadiene-1,1,3-tricarbonitrile
• CAS No.: 30481-45-9
• Molecular Formula: C12H12 N4
• Molecular Weight: 212.2505
• NSC Number: 98366
• UNII: LR2Y628923
• DSSTox Substance ID: DTXSID20184553
• Nikkaji Number: J1.642.478A
• Wikidata: Q83055462
• Mol file: 30481-45-9.mol

Synonyms:2-Amino-4,6,6-trimethyl-2,4-cyclohexadiene-1,1,3-tricarbonitrile;30481-45-9;NSC98366;NSC 98366;LR2Y628923;UNII-LR2Y628923;NSC-98366;2-amino-4,6,6-trimethylcyclohexa-2,4-diene-1,1,3-tricarbonitrile;CBMicro_004680;NCIOpen2_006459;DTXSID20184553;SMSF0003266;AKOS024273677;CB06976;BIM-0004753.P001;2-amino-4,6,6-trimethyl-cyclohexa-2,4-diene-1,1,3-tricarbonitrile;2,4-Cyclohexadiene-1,1,3-tricarbonitrile, 2-amino-4,6,6-trimethyl-

Chemical Property of 2-Amino-4,6,6-trimethyl-2,4-cyclohexadiene-1,1,3-tricarbonitrile

Chemical Property:

• Vapor Pressure: 1.51E-10mmHg at 25°C
• Boiling Point: 510.7°C at 760 mmHg
• Flash Point: 262.7°C
• Density: 1.17g/cm³
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 212.106196400
• Heavy Atom Count: 16
• Complexity: 532

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(C(C(=C1C#N)N)(C#N)C#N)(C)C

Technology Process of 2-Amino-4,6,6-trimethyl-2,4-cyclohexadiene-1,1,3-tricarbonitrile

There total 2 articles about 2-Amino-4,6,6-trimethyl-2,4-cyclohexadiene-1,1,3-tricarbonitrile 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: 48.0%

isopropylidenemalonodinitrile (13166-10-4) → 2-amino-4,6,6-trimethylcyclohexa-2,4-diene-1,1,3-tricarbonitrile (30481-45-9)

Guidance literature:

With 4-methyl-morpholine; In ethanol; at 20 ℃; for 24h;

DOI:10.1134/S1070428006090211

Reference yield:

isopropylidenemalonodinitrile (13166-10-4) + phenylmagnesium bromide → 2-amino-4,6,6-trimethylcyclohexa-2,4-diene-1,1,3-tricarbonitrile (30481-45-9)

Guidance literature:

With benzene;

DOI:10.1021/ja01636a052

Reference yield: 95.0%

2-amino-4,6,6-trimethylcyclohexa-2,4-diene-1,1,3-tricarbonitrile (30481-45-9) → 2-Amino-4-hydrazino-4,6,6-trimethyl-cyclohex-2-ene-1,1,3-tricarbonitrile (80372-15-2)

Guidance literature:

With hydrazine hydrate; In ethanol; for 3h; Ambient temperature;

DOI:10.1055/s-1981-29602

upstream raw materials:

isopropylidenemalonodinitrile

Downstream raw materials:

4,6,6-trimethyl-2-oxo-cyclohex-3-ene-1,1,3-tricarbonitrile

1-Amino-2,6,6-tricyan-3,5,5-trimethyl-3-ethoxy-cyclohex-1-en

1-Amino-3-methoxy-2,6,6-tricyano-3,5,5-trimethylcyclohexene

1,3-Diamino-2,6,6-tricyan-3,5,5-trimethyl-cyclohex-1-en

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