[ CAS No. 10365-94-3 ] {[proInfo.proName]}

Name: 10365-94-3|1,3,5-Benzenetricarbonitrile|98%
Brand: Ambeed
SKU: A582130
Rating: 94 (32 reviews)

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Cat. No.: {[proInfo.prAm]}

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Quality Control of [ 10365-94-3 ]

COA NMR CNMR HPLC LC-MS

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SDS Specification

Alternatived Products of [ 10365-94-3 ]

Product Details of [ 10365-94-3 ]

CAS No. :	10365-94-3	MDL No. :	MFCD00019746
Formula :	C₉H₃N₃	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	SGLGUTWNGVJXPP-UHFFFAOYSA-N
M.W :	153.14	Pubchem ID :	82587
Synonyms :

Calculated chemistry of [ 10365-94-3 ]

Physicochemical Properties

Num. heavy atoms :	12
Num. arom. heavy atoms :	6
Fraction Csp3 :	0.0
Num. rotatable bonds :	0
Num. H-bond acceptors :	3.0
Num. H-bond donors :	0.0
Molar Refractivity :	40.59
TPSA :	71.37 Å²

Pharmacokinetics

GI absorption :	High
BBB permeant :	No
P-gp substrate :	No
CYP1A2 inhibitor :	Yes
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	Yes
Log Kp (skin permeation) :	-6.47 cm/s

Lipophilicity

Log Po/w (iLOGP) :	1.18
Log Po/w (XLOGP3) :	1.08
Log Po/w (WLOGP) :	1.3
Log Po/w (MLOGP) :	0.12
Log Po/w (SILICOS-IT) :	1.76
Consensus Log Po/w :	1.09

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	1.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	-1.84
Solubility :	2.21 mg/ml ; 0.0145 mol/l
Class :	Very soluble
Log S (Ali) :	-2.17
Solubility :	1.03 mg/ml ; 0.00675 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-2.64
Solubility :	0.352 mg/ml ; 0.0023 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.38

Safety of [ 10365-94-3 ]

Signal Word:	Danger	Class:	6.1
Precautionary Statements:	P261-P264-P270-P271-P280-P301+P310+P330-P302+P352+P312+P361+P364-P304+P340+P311-P305+P351+P338+P337+P313-P403+P233-P405-P501	UN#:	2811
Hazard Statements:	H301+H311+H331-H315-H319	Packing Group:	Ⅲ
GHS Pictogram:

Application In Synthesis of [ 10365-94-3 ]

* 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 [ 10365-94-3 ]

[ 10365-94-3 ] Synthesis Path-Downstream 1~70

1
[ 108-70-3 ]
[ 74-90-8 ]
[ 10365-94-3 ]

Reference： [1]Patent: US2591415,1949,

2
[ 5666-55-7 ]
[ 4422-95-1 ]
[ 10365-94-3 ]

Reference： [1]Sb. Statei Obshch. Khim.,1953,p. 865,866
Chem.Abstr.,1955,p. 6820

3
[ 60541-32-4 ]
[ 10365-94-3 ]

Yield	Reaction Conditions	Operation in experiment
	at 350℃; for 1h;	General procedure: Continued amide intermediate preparation examples. The reaction vessel (when the amide intermediate is boiled at atmospheric pressure, etc.) At or below the reaction temperature TB) or to keep the reactor in an open state (when the boiling point of the amide intermediate at atmospheric pressure is higher than the reaction temperature TB described below), stirring (600 r / min) The reaction temperature is changed to TB, After maintaining TD hours at the reaction temperature TB, the reaction vessel was closed and connected to a vacuum chestnut, So that the vacuum inside the reactor to 20-50mbar (according to the different types of nitrile and the corresponding adjustment) With distillate as a nitrile product. Calculate the yield of the nitrile product and sample the NMR spectrum and elemental analysis, To characterize the obtained nitrile product. The specific reaction conditions and characterization are shown in Tables A-5, A-6, A-7 and A-8. These characterization results show that the obtained nitrile product has a very high purity (99% or more)
	With phosphorus pentoxide; under 15.0015 - 37.5038 Torr; for 1h;Heating;	General procedure: Following the amide intermediate preparation example. The reaction vessel is closed (when the amide intermediate has a boiling point at normal pressure equal to or lower than the reaction temperature TB described below)Or keeping the reactor open (when the amide intermediate boiling point is higher than the reaction temperature TB described below),The stirring (600 r/min) is continued, the reaction temperature is changed to TB. After the reaction temperature TB is maintained for TD hours, the reaction vessel is closed and the vacuum pump is connected so that the degree of vacuum in the reaction vessel reaches 20-50 mbar (according to the type of nitrile product Differently adjusted accordingly) with distillate as nitrile product. The yield of the nitrile product was calculated and sampled for nuclear magnetic proteomics and elemental analysis to characterize the nitrile product obtained. Specific reaction conditions and characterization results are shown in Table A-5 and A-6 below.A-7 and A-8. These characterization results show that the nitrile product obtained has an extremely high purity (above 99%). In these nitrile product preparation examples, 10 g of phosphorous pentoxide may be added as a catalyst to the reaction vessel at a time, optionally at the beginning of the reaction.

Reference： [1]Journal of the American Chemical Society,2001,vol. 123,p. 3706 - 3715
[2]Journal of the Chemical Society, Dalton Transactions,1996,p. 1857 - 1865
[3]Tetrahedron,1963,vol. 19,p. 161,166
[4]Tetrahedron,1963,vol. 19,p. 161,166
[5]Collection of Czechoslovak Chemical Communications,1970,vol. 35,p. 350,353
[6]Journal of the American Chemical Society,2012,vol. 134,p. 784 - 787
[7]Journal of the American Chemical Society,2015,vol. 137,p. 219 - 225
[8]Patent: CN105016939,2017,B .Location in patent: Paragraph 0134; 0138-0139
[9]Patent: CN105001032,2018,B .Location in patent: Paragraph 0135; 0136; 0137; 0140; 0141

4
[ 108-67-8 ]
[ 39718-07-5 ]
[ 10365-94-3 ]

Reference： [1]Patent: US2838558,1956,

5
[ 108-67-8 ]
[ 10365-94-3 ]

Reference： [1]Patent: US2838558,1956,

6
[ 10365-94-3 ]
[ 73506-51-1 ]

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

7
[ 10365-94-3 ]
[ 40212-19-9 ]

Reference： [1]Journal of Medicinal Chemistry,1972,vol. 15,p. 1198 - 1200

8
[ 530-48-3 ]
[ 10365-94-3 ]
[ 1483-64-3 ]
[ 41977-31-5 ]

Reference： [1]Journal of the Chemical Society. Perkin transactions I,1990,p. 189 - 191

9
[ 75-77-4 ]
[ 10365-94-3 ]
[ 4039-32-1 ]
[ 141171-71-3 ]

Reference： [1]Journal of the American Chemical Society,1992,vol. 114,p. 5000 - 5004

10
[ 78-82-0 ]
[ 10365-94-3 ]
2,4,6-Tricyanocumene [ No CAS ]
2,4-Diisopropyl-benzene-1,3,5-tricarbonitrile [ No CAS ]

Reference： [1]Journal of the Chemical Society. Chemical communications,1983,p. 984 - 985

11
[ 513-35-9 ]
[ 10365-94-3 ]
[ 127921-63-5 ]
[ 127921-62-4 ]

Reference： [1]Journal of the Chemical Society. Perkin transactions I,1990,p. 189 - 191
[2]Journal of the Chemical Society. Perkin transactions I,1990,p. 189 - 191

12
[ 563-79-1 ]
[ 10365-94-3 ]
[ 127921-60-2 ]

Reference： [1]Journal of the Chemical Society. Perkin transactions I,1990,p. 189 - 191

13
[ 127-18-4 ]
[ 10365-94-3 ]
[ 127921-64-6 ]

Reference： [1]Journal of the Chemical Society. Perkin transactions I,1990,p. 189 - 191

14
[ 1450-14-2 ]
[ 10365-94-3 ]
5-Trimethylsilanyl-isophthalonitrile [ No CAS ]
2-Trimethylsilanyl-benzene-1,3,5-tricarbonitrile [ No CAS ]

Reference： [1]Journal of the Chemical Society. Chemical communications,1989,p. 279 - 280

15
[ 1070-71-9 ]
[ 10365-94-3 ]

Reference： [1]Journal of Organic Chemistry,1990,vol. 55,p. 5601 - 5606

16
[ 1641-49-2 ]
[ 10365-94-3 ]
5-pentylbenzene-1,3-dicarbonitrile [ No CAS ]
2-pentylbenzene-1,3,5-tricarbonitrile [ No CAS ]

Reference： [1]Journal of the Chemical Society. Perkin transactions II,1993,p. 515 - 519
[2]Journal of the Chemical Society. Perkin transactions II,1993,p. 515 - 519

17
[ 107-46-0 ]
[ 10365-94-3 ]
[ 39718-07-5 ]
2-methylbenzene-1,3,5-tricarbonitrile [ No CAS ]

Reference： [1]Journal of the Chemical Society. Perkin transactions II,1993,p. 515 - 519
[2]Journal of the Chemical Society. Perkin transactions II,1993,p. 515 - 519

18
[ 2037-26-5 ]
[ 10365-94-3 ]
C₁₅H₃⁽²⁾H₇N₂ [ No CAS ]
C₁₆H₂⁽²⁾H₇N₃ [ No CAS ]

Reference： [1]Journal of the Chemical Society. Perkin transactions I,1990,p. 1335 - 1338

19
[ 10365-94-3 ]
[ 16857-99-1 ]
N,N,N',N',N'',N''-Hexamethyl-benzene-1,3,5-triamine; compound with benzene-1,3,5-tricarbonitrile [ No CAS ]

Reference： [1]Zeitschrift fur Naturforschung, B: Chemical Sciences,1988,vol. 43,p. 265 - 270

20
[ 10365-94-3 ]
[ 141924-13-2 ]

Reference： [1]Journal of the Chemical Society, Dalton Transactions,1992,p. 1277 - 1282

21
[ 10365-94-3 ]
4-(3,5-Dicyano-phenyl)-[1,2,3,5]diselenadiazol-1-ylium; chloride [ No CAS ]

Reference： [1]Canadian Journal of Chemistry,1993,vol. 71,p. 180 - 185

22
[ 10365-94-3 ]
[ 108-88-3 ]
1-Benzyl-3,5-dicyanobenzene [ No CAS ]
1-Benzyl-2,4,6-tricyanobenzene [ No CAS ]
[ 103-29-7 ]

Reference： [1]Journal of the Chemical Society. Perkin transactions I,1990,p. 1335 - 1338
[2]Journal of the Chemical Society. Perkin transactions I,1990,p. 1335 - 1338

23
[ 1070-71-9 ]
[ 74-86-2 ]
[ 626-17-5 ]
[ 10365-94-3 ]

Reference： [1]Journal of Organic Chemistry,1990,vol. 55,p. 5601 - 5606

24
[ 10365-94-3 ]
[ 108-67-8 ]
[ 63376-64-7 ]
3',5'-Dimethylbenzyl-3,5-dicyanobenzene [ No CAS ]
3',5'-Dimethylbenzyl-2,4,6-tricyanobenzene [ No CAS ]

Reference： [1]Journal of the Chemical Society. Perkin transactions I,1990,p. 1335 - 1338

25
[ 22445-42-7 ]
[ 10365-94-3 ]

Reference： [1]Petroleum Chemistry,1996,vol. 36,p. 533 - 539

26
[ 39718-07-5 ]
[ 10365-94-3 ]

Reference： [1]Petroleum Chemistry,1996,vol. 36,p. 533 - 539

27
[ 108-67-8 ]
[ 124-38-9 ]
[ 22445-42-7 ]
[ 39718-07-5 ]
[ 10365-94-3 ]

Reference： [1]Petroleum Chemistry,1996,vol. 36,p. 533 - 539

28
[ 1070-71-9 ]
[ 10365-94-3 ]
[ 107-13-1 ]
(Z)-3-Silanyl-acrylonitrile [ No CAS ]
(E)-3-Silanyl-acrylonitrile [ No CAS ]

Reference： [1]Chemistry - A European Journal,1998,vol. 4,p. 1074 - 1082

Yield	Reaction Conditions	Operation in experiment
		EXAMPLE 8 By the same procedure as in Example 1, except for the use of 4.34 parts of UO2 (NO3)2.6H2 O in place of 8.68 parts of UO2 (NO3)2.6H2 O and use of 1.73 parts of CrO3, catalyst preparation was carried out, thereby yielding a catalyst with V:Sb:Cr:U=1:2:0.2:0.1 (atomic ratio). 10 ml of the catalyst prepared thus was filled in the reactor as in Example 1 and, while maintaining the bath temperature at 422 C., an ammoxidation reaction was carried out by flowing a mixed gas consisting of 1 mole % of mesitylene, 8 mole % of ammonia and 91 mole % of air at atmospheric pressure and a space velocity of 1000 (hr-1), whereby the temperature of the catalyst bed showed a distribution of maximum 26 C. deviated from the bath temperature, with 99.4 mole % in conversion of mesitylene and 72.0 mole % in yield of 1,3,5-tricyanobenzene (based on mesitylene fed).
	With phosphorus pentoxide; at 350℃; under 15.0015 - 37.5038 Torr; for 1h;	General procedure: Following the amide intermediate preparation example. The reaction vessel is closed (when the amide intermediate has a boiling point at atmospheric pressure, etc.At or below the reaction temperature TB described below) or keeping the reactor open (when the amide intermediate has a boiling point higher than the reaction temperature TB described below at normal pressure), stirring is continued (600 r/min). The reaction temperature was changed to TB. After TD hours at the reaction temperature TB, the reaction vessel was closed and connected to a vacuum pump so that the degree of vacuum in the reaction vessel reached 20-50 mbar (according to the type of nitrile product and corresponding adjustment) to distill off the reaction vessel. The product is a nitrile product. The yield of the nitrile product was calculated and sampled for nuclear magnetic proteomics and elemental analysis to characterize the nitrile product obtained. Specific reaction conditions and characterization results are shown in Tables A-5, A-6, A-7 and A-8 below. These characterization results show that the nitrile product obtained has an extremely high purity (above 99%). In these nitrile product preparation examples, 10 g of phosphorous pentoxide may be added as a catalyst to the reaction vessel at a time, optionally at the beginning of the reaction.

30
benzene-tricarboxylic acid-(1.3.5)-triamide [ No CAS ]
[ 10365-94-3 ]

Reference： [1]Journal of the Chemical Society,1936,p. 1108,1111

31
[ 10365-94-3 ]
[ 67-64-1 ]
potassium 1-acetonyl-2,4,6-tricyanocyclohexa-2,5-dienide [ No CAS ]

Reference： [1]Russian Chemical Bulletin,2001,vol. 50,p. 1056 - 1063

32
[ 10365-94-3 ]
[ 67-64-1 ]
potassium 1-acetonyl-2,4-dicarbamoyl-6-nitrocyclohexa-2,5-dienide [ No CAS ]
C₁₁H₁₂N₃O₅^(1-)*K⁽¹⁺⁾ [ No CAS ]

Reference： [1]Russian Chemical Bulletin,2001,vol. 50,p. 1056 - 1063

33
[ 626-39-1 ]
[ 151-50-8 ]
[ 10365-94-3 ]

Reference： [1]Synthesis,2005,p. 2683 - 2686

34
[ 10365-94-3 ]
[ 917-54-4 ]
[ 344299-83-8 ]

Reference： [1]Journal of the American Chemical Society,2001,vol. 123,p. 3706 - 3715

35
[ 10365-94-3 ]
1,3,5-tris(2H-tetrazol-5-yl)benzene dihydrochloride [ No CAS ]

Reference： [1]Journal of the American Chemical Society,2006,vol. 128,p. 16876 - 16883

36
[ 4422-95-1 ]
[ 10365-94-3 ]

Reference： [1]Journal of the Chemical Society, Dalton Transactions,1996,p. 1857 - 1865

37
[ 10365-94-3 ]
C₉H₃N₄Se₂ [ No CAS ]

Reference： [1]Canadian Journal of Chemistry,1993,vol. 71,p. 180 - 185

38
[ 10365-94-3 ]
[ 141171-70-2 ]

Reference： [1]Journal of the American Chemical Society,1992,vol. 114,p. 5000 - 5004

39
[ 10365-94-3 ]
C₉H₃N₆S₆⁽³⁺⁾*3Cl^(1-) [ No CAS ]

Reference： [1]Journal of the American Chemical Society,1992,vol. 114,p. 5000 - 5004

40
[ 10365-94-3 ]
[ 127921-61-3 ]

Reference： [1]Journal of the Chemical Society. Perkin transactions I,1990,p. 189 - 191

41
[ 35520-41-3 ]
[ 10365-94-3 ]

Yield	Reaction Conditions	Operation in experiment
	With acetic anhydride; In water; acetic acid;	Example 4 By analogy with Example 3, 0.1 mol of 3-dimethylamino-acrylonitrile was added dropwise to a mixture of 54 ml of glacial acetic acid and 5 ml of acetic anhydride. 2.3 g of orange acicular crystals were obtained, as were 4.5 g of orange powder after concentration and addition of water. The concentrated mother liquor (4.5 g) contained 3.4% of dimer, i.e. 92.5% isolated yield or 94.7% overall yield. As a by-product in 1.1% of the theoretical yield, 1,3,5-tricyanobenzene was identified.

Reference： [1]Patent: US5475131,1995,A

42
[ 10365-94-3 ]
[ 40212-19-9 ]

Yield	Reaction Conditions	Operation in experiment
	With hydroxylamine; In methanol; water; at 60℃; for 3h;	Example 20:; Production of D-141:; D-141 was produced according to the following scheme:Production of D-141A:; 100 ml of methanol was added to 11.5 g of 1,3,5- tricyanobenzene produced in an ordinary manner, and then 26.0 ml of 50 % hydroxylamine solution was added to it, and stirred at 6O0C for 3 hours. After cooled, water was added to the reaction liquid, and the deposited crystal was taken out through filtration and dried to obtain 8.0 g of a crystal of D-141A.

Reference： [1]Patent: WO2006/98489,2006,A1 .Location in patent: Page/Page column 91-92

43
[ 10365-94-3 ]
[ 77372-56-6 ]

Yield	Reaction Conditions	Operation in experiment
88%	With hydrogen; In ethanol; at 110℃; under 60006 Torr; for 1.5h;	3) In 1L hydrogenation kettle was added 100g <strong>[10365-94-3]1,3,5-benzenetrinitrile</strong> and 3g Raney-Ni, 400mL ethanol, continuous charge H2, so that the reaction pressure in the system is always maintained at 8MPa. After the reaction at a reaction temperature of 110 C for 1.5 hours, Cool down When the temperature inside the reactor dropped to room temperature, the gas was released and 1,3,5-benzene trimethylamine (purity: 99% or more) was obtained by filtration and recrystallization in a yield of 88% by weight.
	With hydrogen;raney nickel.chromium; In methanol; m-xylene;	REFERENCE EXAMPLE 1 In an autoclave of a 300-ml content fitted with an electromagnetic agitator was placed for tight sealing a mixture of 15 g of <strong>[10365-94-3]1,3,5-tricyanobenzene</strong> (MTN), 15 g of Raney-nickel.chromium catalyst prepared according to the conventional method (atomic ratio of Ni:Cr=49:1), 27 ml of methanol, 63 ml of m-xylene and 0.18 g of caustic soda, and hydrogen was charged at an initial pressure of 100 kg/cm2 G to conduct the reaction at 100 C., resulting in the absorption of 0.59 mole of hydrogen over a 35-minute period. The catalyst was filtrated out and the solvent was distilled off, followed by conducting vacuum distillation, thus resulting in 12.8 g of 1,3,5-tris(aminomethyl)benzene (MTA).
	With hydrogen; In ethanol; at 110℃; under 60006 Torr; for 1.5h;	(3) 100 g of 1,3,5-benzotrinitrile and 3 g of Raney-Ni, 400 mL of ethanol are added to a 1 L hydrogenation reactor, and H2 is continuously charged, so that the pressure of the system is always maintained at 8 MPa during the reaction. After the reaction was performed at a reaction temperature of 110 C. for 1.5 h, the temperature was lowered. When the temperature in the reaction vessel was lowered to room temperature, the gas was purged, and 1,3,5-benzenetrimethylamine (having a purity of 99% or more) was obtained by filtration and recrystallization. The yield was 88% by weight.

With hydrogen; In ethanol; at 110℃; under 60006 Torr; for 1.5h;

(3) 100 g of 1,3,5-benzotrinitrile and 3 g of Raney-Ni, 400 mL of ethanol are added to a 1 L hydrogenation reactor and continuously chargedH2, the system pressure is always maintained at 8 MPa during the reaction. After the reaction was performed at a reaction temperature of 110 C. for 1.5 h, the temperature was lowered. To be reactedWhen the temperature in the kettle falls to room temperature, it is degassed and 1,3,5-benzenetrimethylamine (purity of 99% or more) is obtained by filtration and recrystallization.The yield was 88% by weight.

Reference： [1]Patent: CN105016939,2017,B .Location in patent: Paragraph 0149
[2]Patent: US4338256,1982,A
[3]Patent: CN105001032,2018,B .Location in patent: Paragraph 0146; 0151
[4]Patent: CN105016940,2018,B .Location in patent: Paragraph 0148

44
[ 10365-94-3 ]
[ 2816-43-5 ]
6-triphenylgermyl-1,3,5-tricyanocyclohexadienyl [ No CAS ]

Reference： [1]Gazzetta Chimica Italiana,1987,vol. 117,p. 381 - 384

45
[ 74507-62-3 ]
[ 10365-94-3 ]
[ 75-05-8 ]
[Co(III)(pentamethylcyclopentadienide)2]((C₆H₃(CN)3)2)*2MeCN [ No CAS ]

Reference： [1]Chemical Communications,2001,p. 2730 - 2731

46
[ 10365-94-3 ]
[ 17846-68-3 ]
[ 177593-51-0 ]

Reference： [1]Journal of the Chemical Society, Dalton Transactions,1996,p. 1857 - 1865

47
[ 10365-94-3 ]
[ 1118-03-2 ]
C₆H₃(CN₄Sn(CH₃)3)3*6H₂O [ No CAS ]

Reference： [1]Journal of the Chemical Society, Dalton Transactions,1996,p. 1857 - 1865

48
[ 10365-94-3 ]
[triethyl][azido]tin [ No CAS ]
[ 177593-50-9 ]

Reference： [1]Journal of the Chemical Society, Dalton Transactions,1996,p. 1857 - 1865

49
toluene(cyclopentadienyl)iron(II) hexafluorophosphate [ No CAS ]
[ 10365-94-3 ]
[ 1663-45-2 ]
(((C₅H₅)Fe((C₆H₅)2PC₂H₄P(C₆H₅)2))3(C₆H₃(CN)3))⁽³⁺⁾*3PF₆^(1-)=(((C₅H₅)Fe((C₆H₅)2PCH₂CH₂P(C₆H₅)2))3(C₆H₃(CN)3))(PF₆)3 [ No CAS ]

Reference： [1]Inorganic Chemistry,2008,vol. 47,p. 4421 - 4428

50
[ 626-39-1 ]
potassium hexacyanoferrate(II) [ No CAS ]
[ 10365-94-3 ]

Reference： [1]Synthetic Communications,2011,vol. 41,p. 1042 - 1051

51
[ 2548-47-2 ]
[ 10365-94-3 ]
[ 1345015-13-5 ]

Reference： [1]Journal of the American Chemical Society,2011,vol. 133,p. 18018 - 18021

52
[ 10365-94-3 ]
1,3,5-tris(2H-tetrazol-5-yl)benzene hydrochloride [ No CAS ]

Reference： [1]Journal of the American Chemical Society,2012,vol. 134,p. 784 - 787

53
[ 554-95-0 ]
[ 10365-94-3 ]

Reference： [1]Journal of the American Chemical Society,2012,vol. 134,p. 784 - 787
[2]Patent: CN105016939,2017,B
[3]Patent: CN105001032,2018,B

54
[ 14104-20-2 ]
[ 10365-94-3 ]
[ 1413974-24-9 ]
6Ir⁽³⁺⁾*12C₁₁H₈N^(1-)*4C₉H₃N₃*6BF₄^(1-) [ No CAS ]

Reference： [1]Journal of the American Chemical Society,2012,vol. 134,p. 19334 - 19337

55
bis((2-pyridinyl-κN)phenyl-κ2C)iridium(III) chloride dimer [ No CAS ]
[ 10365-94-3 ]
[ 2923-28-6 ]
6Ir⁽³⁺⁾*12C₁₁H₈N^(1-)*4C₉H₃N₃*6CF₃O₃S^(1-) [ No CAS ]

Reference： [1]Journal of the American Chemical Society,2012,vol. 134,p. 19334 - 19337

56
[ 10365-94-3 ]
[ 1413974-24-9 ]
[ 2923-28-6 ]
6Ir⁽³⁺⁾*12C₁₁H₈N^(1-)*4C₉H₃N₃*6CF₃O₃S^(1-) [ No CAS ]

Reference： [1]Journal of the American Chemical Society,2012,vol. 134,p. 19334 - 19337

57
[ 10365-94-3 ]
[ 1413974-24-9 ]
[ 2923-28-6 ]
6Ir⁽³⁺⁾*12C₁₁H₈N^(1-)*4C₉H₃N₃*6CF₃O₃S^(1-) [ No CAS ]

Reference： [1]Journal of the American Chemical Society,2012,vol. 134,p. 19334 - 19337

58
[ 10365-94-3 ]
[ 1433223-40-5 ]

Reference： [1]Organic Letters,2013,vol. 15,p. 2526 - 2529

59
[ 67-56-1 ]
[ 10365-94-3 ]
[ 1433223-83-6 ]

Reference： [1]Organic Letters,2013,vol. 15,p. 2526 - 2529

60
[ 87-85-4 ]
[ 10365-94-3 ]
hexamethylbenzene [ No CAS ]

Reference： [1]CrystEngComm,2015,vol. 17,p. 3787 - 3792

61
[ 4342-40-9 ]
[ 10365-94-3 ]
hexamethylbenzene [ No CAS ]

Reference： [1]CrystEngComm,2015,vol. 17,p. 3787 - 3792

62
[ 626-39-1 ]
potassium hexacyanoferrate(II) trihydrate [ No CAS ]
[ 10365-94-3 ]

Reference： [1]Journal of the American Chemical Society,2016,vol. 138,p. 1709 - 1716

63
[ 10365-94-3 ]
5,5’,5’’-(1,3,5-triazine-2,4,6-triyl)triisophthalonitrile [ No CAS ]

Reference： [1]Angewandte Chemie - International Edition,2016,vol. 55,p. 7413 - 7417
Angew. Chem.,2016,vol. 128,p. 7539 - 7543,5

64
[ 10365-94-3 ]
[ 79802-71-4 ]
C₄₈H₂₂N₁₀ [ No CAS ]

Reference： [1]Journal of Materials Chemistry A,2017,vol. 5,p. 3609 - 3620

65
[ 626-39-1 ]
potassium ferrocyanide [ No CAS ]
[ 10365-94-3 ]

Reference： [1]ChemSusChem,2017,vol. 10,p. 2348 - 2351

66
[ 10365-94-3 ]
[ 14353-88-9 ]
[ 65387-29-3 ]
C₁₁HF₆N₃ [ No CAS ]

Reference： [1]ACS Catalysis,2018,vol. 8,p. 2839 - 2843

67
potassiumhexacyanoferrate(II) trihydrate [ No CAS ]
[ 626-39-1 ]
[ 10365-94-3 ]

Reference： [1]European Journal of Inorganic Chemistry,2018,vol. 2018,p. 3374 - 3383

68
[ 10365-94-3 ]
C₉H₆N₁₂*2ClH [ No CAS ]

Reference： [1]Chemistry - An Asian Journal,2019,vol. 14,p. 4814 - 4818

69
[ 626-39-1 ]
copper(l) cyanide [ No CAS ]
[ 10365-94-3 ]

Yield	Reaction Conditions	Operation in experiment
	In N,N-dimethyl-formamide; at 180℃; for 48h;Inert atmosphere;	S41: Add 1,3,5-tribromobenzene (1.56g, 5.0mmol), copper cyanide (6.75g, 75.0mmol) and 50mL to a 250mL round bottom flask equipped with a stir barDry N, N-dimethylformamide.S42: The mixture under the protection of argon was reacted at 180 C for 48 hours.After cooling to room temperature, the solvent of N, N-dimethylformamide was removed by vacuum distillation. The obtained solid was dissolved in DCM and washed with brine, and then the mixture was extracted with DCM three times. The organic phase was collected and dried with MgSO4. After removing the solvent, the crude product was purified by column chromatography and recrystallized several times with DCM / hexane to obtain the product.

Reference： [1]Patent: CN110938017,2020,A .Location in patent: Paragraph 0058-0062

70
[ 10365-94-3 ]
[ 69146-57-2 ]

Yield	Reaction Conditions	Operation in experiment
	With Adams’s catalyst; chloroform; hydrogen In ethanol at 20℃; for 48h;	1.5 Preparation of intermediate Compound 2 A 100 mL reactor was charged with a mixture of compound 1 (500 mg, 3.26 mmol) and PtO2(111 mg, 490 umol) in CHCl3 (1.0 mL) and EtOH (16.6 mL). The mixture was degassed and purged with nitrogen and then charged with hydrogen, while maintaining a constant system pressure at 71 psi during the reaction. The reaction was stirred at room temperature for 2 days, then purged with nitrogen, filtered and the filtrate was concentrated under reduced pressure. The crude compound 2 (750 mg) was obtained as a yellow solid, its identity verified by1H NMR and LCMS.

Reference： [1]Current Patent Assignee: SUPERTRANS MEDICAL - WO2022/54057, 2022, A1 Location in patent: Page/Page column 96-97

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[ 10365-94-3 ]

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H412	Harmful to aquatic life with long-lasting effects
H413	May cause long-lasting harmful effects to aquatic life
H420	Harms public health and the environment by destroying ozone in the upper atmosphere

[ CAS No. 10365-94-3 ] {[proInfo.proName]}

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[ 10365-94-3 ] Synthesis Path-Downstream 1~70

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Nitriles

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