1206-85-5|2,4,6-Trimethylbenzene-1,3,5-tricarbonitrile| Ambeed

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Quality Control of [ 1206-85-5 ] Purity: 98% SDS Specification

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Product Details of [ 1206-85-5 ]

CAS No. :	1206-85-5
Formula :	C₁₂H₉N₃
M.W :	195.22
SMILES Code :	N#CC1=C(C)C(C#N)=C(C)C(C#N)=C1C
MDL No. :	N/A
InChI Key :	WURVTDKUHZJPJX-UHFFFAOYSA-N
Pubchem ID :	121055

Safety of [ 1206-85-5 ]

GHS Pictogram:
Signal Word:	Danger
Hazard Statements:	H301+H311+H331-H315-H319
Precautionary Statements:	P501-P261-P270-P271-P264-P280-P337+P313-P305+P351+P338-P361+P364-P332+P313-P301+P310+P330-P302+P352+P312-P304+P340+P311-P403+P233-P405
Class:	6.1
UN#:	3439
Packing Group:	Ⅲ

Application In Synthesis of [ 1206-85-5 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

Downstream synthetic route of [ 1206-85-5 ]

[ 1206-85-5 ] Synthesis Path-Downstream 1~23

1
[ 608-72-0 ]
[ 544-92-3 ]
[ 1206-85-5 ]

References: [1]Journal of Organic Chemistry,1962,vol. 27,p. 2964 - 2965.

4
[ 608-72-0 ]
compound from pyridine and CuCN [ No CAS ]
[ 1206-85-5 ]

References: [1]Journal of Organic Chemistry,1962,vol. 27,p. 2964 - 2965.

5
dinitrile of/the/ eso-amino-mesitylen-eso-dicarboxylic acid [ No CAS ]
[ 1206-85-5 ]

References: [1]Justus Liebigs Annalen der Chemie,1894,vol. 278,p. 222.

6
[ 5211-86-9 ]
[ 1206-85-5 ]
1,3,5-tricyano-2,4,6-tris(2-piperidin-1-ylvinyl)benzene [ No CAS ]

References: [1]Journal of the American Chemical Society,2001,vol. 123,p. 6421 - 6422.
[2]Journal of the American Chemical Society,2001,vol. 123,p. 6421 - 6422.

7
[ 10338-57-5 ]
[ 1206-85-5 ]
1,3,5-tricyano-2,4,6-tris(p-piperidinylstyryl)benzene [ No CAS ]

References: [1]Journal of the American Chemical Society,2001,vol. 123,p. 6421 - 6422.
[2]Journal of the American Chemical Society,2001,vol. 123,p. 6421 - 6422.

8
[ 4432-76-2 ]
[ 1206-85-5 ]
2,4,6-Tris-((E)-2-diethylamino-vinyl)-benzene-1,3,5-tricarbonitrile [ No CAS ]

References: [1]Journal of the American Chemical Society,2001,vol. 123,p. 6421 - 6422.
[2]Journal of the American Chemical Society,2001,vol. 123,p. 6421 - 6422.

9
[ 1206-85-5 ]
[ 119198-88-8 ]

References: [1]Journal of Organic Chemistry,2001,vol. 66,p. 7013 - 7019.

10
[ 1206-85-5 ]
3,5-diformyl-2,4,6-trimethyl-benzonitrile [ No CAS ]
3,5-dicyano-2,4,6-trimethylbenzaldehyde [ No CAS ]

References: [1]Journal of Organic Chemistry,2001,vol. 66,p. 7013 - 7019.

11
[ 1206-85-5 ]
1,3,5-tricyano-2,4,6-tris(bromomethyl)benzene [ No CAS ]

References: [1]Journal of the American Chemical Society,2001,vol. 123,p. 6421 - 6422.
[2]Journal of the American Chemical Society,2001,vol. 123,p. 6421 - 6422.

12
[ 1206-85-5 ]
[ 123-11-5 ]
1,3,5-tricyano-2,4,6-tris(p-methoxystyryl)benzene [ No CAS ]

References: [1]Journal of the American Chemical Society,2001,vol. 123,p. 6421 - 6422.
[2]Journal of the American Chemical Society,2001,vol. 123,p. 6421 - 6422.

13
[ 1206-85-5 ]
[ 4637-24-5 ]
1,3,5-tricyano-2,4,6-tris(2-dimethylaminovinyl)benzene [ No CAS ]

References: [1]Journal of the American Chemical Society,2001,vol. 123,p. 6421 - 6422.
[2]Journal of the American Chemical Society,2001,vol. 123,p. 6421 - 6422.

14
[ 1206-85-5 ]
[ 120-21-8 ]
1,3,5-tricyano-2,4,6-tris(p-diethylaminostyryl)benzene [ No CAS ]

References: [1]Journal of the American Chemical Society,2001,vol. 123,p. 6421 - 6422.
[2]Journal of the American Chemical Society,2001,vol. 123,p. 6421 - 6422.

15
[ 1206-85-5 ]
7-hydroxy-3,5-dimethyl-bicyclo[4.2.0]octa-1⁽⁶⁾,2,4-triene-2,4-dicarbaldehyde [ No CAS ]

References: [1]Journal of Organic Chemistry,2001,vol. 66,p. 7013 - 7019.

16
[ 1206-85-5 ]
4-formyl-7-hydroxy-3,5-dimethyl-bicyclo[4.2.0]octa-1⁽⁶⁾,2,4-triene-2-carbonitrile [ No CAS ]

References: [1]Journal of Organic Chemistry,2001,vol. 66,p. 7013 - 7019.

17
[ 1206-85-5 ]
5-formyl-8-hydroxy-2,4-dimethyl-bicyclo[4.2.0]octa-1⁽⁶⁾,2,4-triene-3-carbonitrile [ No CAS ]

References: [1]Journal of Organic Chemistry,2001,vol. 66,p. 7013 - 7019.

18
[ 1206-85-5 ]
7-hydroxy-3,5-dimethyl-bicyclo[4.2.0]octa-1⁽⁶⁾,2,4-triene-2,4-dicarbonitrile [ No CAS ]

References: [1]Journal of Organic Chemistry,2001,vol. 66,p. 7013 - 7019.

19
[ 608-72-0 ]
[ 1206-85-5 ]

Yield	Reaction Conditions	Operation in experiment
6g (40.59%)	With pyridine;CuCN;	2) Synthesis of 2,4,6-tricyano-1,3,5-trimethylbenzene (TCM) CuCN (220g, 243 mmol) and pyridine (146.7g, 1.85 mol) were added to a high pressure reaction vessel, and well mixed, and then 2,4,6-tribromo-1,3,5-trimethylbenzene(25g, 75.8mmol) was added thereto. The reaction mixture was reacted at 205 0 for 2 hours. Cu therein was excluded with excessive methylene diamine, and then filtered by MC. Water in the reaction mixture was eliminated over MgSO4, and then solvent therein was evaporated in vacuum. The residue was absorbed to silica gel column and separated with a tube chromatography (Hx: MC = 3:1) to obtain white solid [yield: 6g (40.59%)].

References: [1]Patent: EP1435384,2004,A2 .

20
[ 608-72-0 ]
copper(l) cyanide [ No CAS ]
[ 1206-85-5 ]

Yield	Reaction Conditions	Operation in experiment
46%	In N,N-dimethyl-formamide; at 150 - 160℃; for 8.0h;Reflux;	To a solution of CuCN (5.0 g, 56.0 mmol) in 40.0 mL of DMF was added 2,4,6-dibromomesitylene (4.0 g, 30.0 mmol) and the resultant mixture was heated at reflux (150-160 C) for 8 h. Subsequently, the reaction mixture was cooled to room temperature and a solution of FeCl3 (24.0 g in 32.0 mL of 2.4 N HCl) was added. The mixture was heated at 78-80 C for 20 min and then cooled. The organic matter was extracted with chloroform, washed with water, dried over anhydrous Na2SO4 and the solvent removed in vacuo. The residue was subjected to column chromatography (10% ethyl acetate/hexane) to obtain 1.0 g (46%) of 2,4,6-Tricyanomesitylene as colourless crystalline material, mp 178-179 C (lit 180 C), 1H NMR (CDCl3, 400 MHz) 2.82 (s, 9H) ppm; 13C NMR (CDCl3, 100 MHz) δ 150.0, 114.4, 114.3, 20.8 ppm.

References: [1]Tetrahedron Letters,2013,vol. 54,p. 1067 - 1070.
[2]Journal of Materials Chemistry A,2017,vol. 5,p. 8292 - 8296.

21
[ 1206-85-5 ]
[ 1422036-95-0 ]

Yield	Reaction Conditions	Operation in experiment
45%	With aluminum oxide; copper(II) bis(trifluoromethanesulfonate); In N,N-dimethyl acetamide; at 100℃; for 6.0h;Sealed tube; Inert atmosphere;	In a sealed tube 2.0 g of basic Al2O3-Cu(OTf)2 catalyst was added to a solution of tricyanomesitylene (100 mg,0.51 mmol) in a 7.0 mL of dimethyl acetamide (DMA) under inert atmosphere and the resultant mixture was heated at 100 C) for 6 h. The reaction mixture was cooled to room temp and filtered. The solvent (filtrate) was evaporated under reduced pressure. The residue was subjected to column chromatography (30% ethyl acetate in hexane) to obtain 22 mg (yield 45% at 49% conversion) IQ as yellowish-brown amorphous powder; mp > 300 C; 1H NMR (CDCl3, 400 MHz) δ 7.24 (s, 1H, aromatic), 5.71 (s, 2H, amine), 3.26 (s, 3H, p-methyl of aryl group), 2.91 (s, 3H, 6-methyl of isoquinoline), 2.81 (s, 3H, 8- methyl of isoquinoline), 2.36 (s, 6H, o-methyl of aryl group) ppm; 13C NMR (CDCl3, 100 MHz) δ 157.8, 154.3, 147.8, 146.8, 146.0, 144.6, 141.0, 139.1, 115.9, 115.8 (×2), 115.1, 115.0, 114.1, 113.6 (×2), 109.9 (×2), 109.3, 23.1, 21.0, 20.3, 19.8 (×2) ppm; IR (KBr) ν 3404, 3294, 3142, 2932, 2225, 1593, 1474 cm-1; ESI-MS m/z calculated for (C24H18N6 + H+): 391.1671, found 390.8277; Anal. Calcd. for C24H18N6: C, 73.83; H, 4.65; N, 21.52. Found C, 73.66; H, 4.68; N, 21.46.

References: [1]Tetrahedron Letters,2013,vol. 54,p. 1067 - 1070.

22
[ 108-67-8 ]
[ 1206-85-5 ]

References: [1]Journal of Materials Chemistry A,2017,vol. 5,p. 8292 - 8296.

23
[ 1206-85-5 ]
[ 780722-26-1 ]
1,3,5-tris(2,4-diamino-1,3,5-triazin-6-yl)-2,4,6-trimethylbenzene [ No CAS ]

References: [1]Journal of Materials Chemistry A,2017,vol. 5,p. 8292 - 8296.

Historical Records

Technical Information

• Alkyl Halide Occurrence • Benzylic Oxidation • Birch Reduction • Blaise Reaction • Blanc Chloromethylation • Catalytic Hydrogenation • Complex Metal Hydride Reductions • Friedel-Crafts Reaction • Hydride Reductions • Hydrogenolysis of Benzyl Ether • Preparation of Aldehydes and Ketones • Preparation of Alkylbenzene • Preparation of Amines • Reactions of Benzene and Substituted Benzenes • Ritter Reaction • Thorpe-Ziegler Reaction • Vilsmeier-Haack Reaction

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CAS No.: 1206-85-5

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CAS No.: 1206-85-5

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Product Details of [ 1206-85-5 ]

Safety of [ 1206-85-5 ]

Application In Synthesis of [ 1206-85-5 ]

[ 1206-85-5 ] Synthesis Path-Downstream 1~23

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Technical Information

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