[ CAS No. 79491-05-7 ]

Name: 79491-05-7|4-(p-Tolyl)-1,2,4-triazolidine-3,5-dione|98%
Brand: Ambeed
SKU: A1372953
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Quality Control of [ 79491-05-7 ]

COA NMR CNMR HPLC LC-MS

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SDS Specification

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Product Details of [ 79491-05-7 ]

CAS No. :	79491-05-7	MDL No. :	MFCD00102267
Formula :	C₉H₉N₃O₂	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	HHMLQRYQRQDWTA-UHFFFAOYSA-N
M.W :	191.19	Pubchem ID :	4329732
Synonyms :

Safety of [ 79491-05-7 ]

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P261-P280-P305+P351+P338-P304+P340	UN#:	N/A
Hazard Statements:	H302	Packing Group:	N/A
GHS Pictogram:

Application In Synthesis of [ 79491-05-7 ]

* 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 [ 79491-05-7 ]

[ 79491-05-7 ] Synthesis Path-Downstream 1~24

1
[ 110-21-4 ]
[ 540-23-8 ]
[ 79491-05-7 ]

Reference： [1]Pharmaceutical Bulletin,1954,vol. 2,p. 403,411

2
[ 79491-05-7 ]
[ 72708-83-9 ]

Reference： [1]Chemische Berichte,1985,vol. 118,p. 28 - 41
[2]Journal of Organic Chemistry,1992,vol. 57,p. 1118 - 1124
[3]Journal of the American Chemical Society,1984,vol. 106,p. 2874
[4]Heterocycles,2003,vol. 60,p. 1083 - 1094
[5]ACS Combinatorial Science,2012,vol. 14,p. 124 - 134

3
[ 79491-05-7 ]
[ 13274-75-4 ]

Yield	Reaction Conditions	Operation in experiment
	With dinitrogen tetraoxide; sodium sulfate In dichloromethane at 0℃;

Reference： [1]Adam,W.; Carballeira,N. [Journal of the American Chemical Society, 1984, vol. 106, p. 2874]

4
[ 35580-58-6 ]
[ 79491-05-7 ]

Yield	Reaction Conditions	Operation in experiment
92%	With potassium etoxide In ethanol for 5h; Heating;
79%	With potassium hydroxide In lithium hydroxide monohydrate at 80℃; for 2h;
	In lithium hydroxide monohydrate for 2h;

With potassium hydroxide In lithium hydroxide monohydrate for 5h; Reflux;

General procedure for the synthesis of 4-substituted-urazoles General procedure: Amine (3 mmol) and cesium carbonate (3.5 mmol) was dissolved in anhydrous 1,4-dioxane (10mL). Triphosgene (1 mmol) was added in portions over 2-3 min and this mixture was stirred atroom temperature. After 1.5 hour ethyl carbazate (3.2 mmol) was added and reaction mixturewas stirred overnight. Following evaporation to dryness, the reaction mixture was refluxed inaqueous 5 M KOH for 5 hours then it was cooled down in an ice bath. The solution wasneutralized with concentrated HCl to reach to a pH of 1-2. The white crystalline product wascollected and dried to give the corresponding urazole (Table 1).

Reference： [1]Mallakpour, Shadpour; Rafiee, Zahra [Synthetic Communications, 2007, vol. 37, # 11, p. 1927 - 1934]
[2]Miller, Brock A.; Narangoda, Chandima J.; Johnson, Thomas L.; Barata, Ryan D.; Belue, Flavoris; Solomon, Erin E.; Bragg, Alexis A.; Whitehead, Daniel C. [Journal of Organic Chemistry, 2022, vol. 87, # 11, p. 7494 - 7500]
[3]Adam,W.; Carballeira,N. [Journal of the American Chemical Society, 1984, vol. 106, p. 2874]
[4]Ghorbani-Choghamarani, Arash; Nikoorazm, Mohsen; Azadi, Gouhar [Chinese Chemical Letters, 2014, vol. 25, # 3, p. 451 - 454]

5
C₁₀H₁₃N₃O₃ [ No CAS ]
[ 79491-05-7 ]

Yield	Reaction Conditions	Operation in experiment
60%	With potassium hydroxide for 0.75h; Heating;

Reference： [1]Bausch, M. J.; David, B.; Dobrowolski, P.; Guadalupe-Fasano, C.; Gostowski, R.; et al. [Journal of Organic Chemistry, 1991, vol. 56, # 19, p. 5643 - 5651]

6
[ 541-41-3 ]
[ 106-49-0 ]
[ 4114-31-2 ]
[ 79491-05-7 ]

Yield	Reaction Conditions	Operation in experiment
28%	Stage #1: chloroformic acid ethyl ester; <i>p</i>-toluidine With triethylamine In acetone at 0℃; for 1h; Stage #2: ethylhydrazine carboxylate With triethylamine In acetone for 10h; Heating; Further stages.;

Reference： [1]Mallakpour, Shadpour; Rafiee, Zahra [Synlett, 2007, # 8, p. 1255 - 1256]

7
[ 3848-42-8 ]
[ 79491-05-7 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 2 steps 1: 71 percent / tetrahydrofuran / 8 h / Heating 2: 92 percent / sodium ethoxide / ethanol / 5 h / Heating
	Multi-step reaction with 3 steps 1: Et₃N / toluene / 8 h / Heating 2: toluene / 8 h / 25 °C 3: 92 percent / sodium ethoxide / ethanol / 5 h / Heating

Reference： [1]Mallakpour, Shadpour; Rafiee, Zahra [Synthetic Communications, 2007, vol. 37, # 11, p. 1927 - 1934]
[2]Mallakpour, Shadpour; Rafiee, Zahra [Synthetic Communications, 2007, vol. 37, # 11, p. 1927 - 1934]

8
[ 106-49-0 ]
[ 79491-05-7 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 3 steps 1: 94 percent / Et₃N / tetrahydrofuran; CH₂Cl₂ / 2 h / 0 - 25 °C 2: 71 percent / tetrahydrofuran / 8 h / Heating 3: 92 percent / sodium ethoxide / ethanol / 5 h / Heating
	Multi-step reaction with 4 steps 1: 94 percent / Et₃N / tetrahydrofuran; CH₂Cl₂ / 2 h / 0 - 25 °C 2: Et₃N / toluene / 8 h / Heating 3: toluene / 8 h / 25 °C 4: 92 percent / sodium ethoxide / ethanol / 5 h / Heating

9
[ 622-58-2 ]
[ 79491-05-7 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 2 steps 1: toluene / 8 h / 25 °C 2: 92 percent / sodium ethoxide / ethanol / 5 h / Heating
	Multi-step reaction with 2 steps 1: benzene / 20-25 deg C, 2 h; reflux, 2 h 2: KOH / H₂O / 2 h
	Multi-step reaction with 2 steps 1: 98 percent / benzene / 0.33 h 2: 60 percent / 4M aq. KOH / 0.75 h / Heating

	Multi-step reaction with 2 steps 1: 1,4-dioxane / 20 °C 2: potassium hydroxide / lithium hydroxide monohydrate / 5 h / Reflux
	Multi-step reaction with 2 steps 1: acetonitrile; toluene / 14 h / 20 °C / Reflux 2: potassium hydroxide / lithium hydroxide monohydrate / 2 h / 80 °C

Reference： [1]Mallakpour, Shadpour; Rafiee, Zahra [Synthetic Communications, 2007, vol. 37, # 11, p. 1927 - 1934]
[2]Adam,W.; Carballeira,N. [Journal of the American Chemical Society, 1984, vol. 106, p. 2874]
[3]Bausch, M. J.; David, B.; Dobrowolski, P.; Guadalupe-Fasano, C.; Gostowski, R.; et al. [Journal of Organic Chemistry, 1991, vol. 56, # 19, p. 5643 - 5651]
[4]Ghorbani-Choghamarani, Arash; Nikoorazm, Mohsen; Azadi, Gouhar [Chinese Chemical Letters, 2014, vol. 25, # 3, p. 451 - 454]
[5]Miller, Brock A.; Narangoda, Chandima J.; Johnson, Thomas L.; Barata, Ryan D.; Belue, Flavoris; Solomon, Erin E.; Bragg, Alexis A.; Whitehead, Daniel C. [Journal of Organic Chemistry, 2022, vol. 87, # 11, p. 7494 - 7500]

10
[ 79491-05-7 ]
dimethyl 3-oxo-4-ethyl-5-(1,3-dithiol-2-ylidene)-6-{N-(4-methylphenyl)carbamoylimino}[1,2]dithiolo[3,4-b][1,4]thiazine-4',5'-dicarboxylate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 2 steps 1: N-bromosuccinimide / CH₂Cl₂ / 0.33 h / 0 °C 2: 28 mg / chlorobenzene / 3 h / Heating

Reference： [1]Garcia, Nuria; Fuertes, Pedro; Barriga, Susana; Neo, Ana G.; Miguel, Daniel; Torroba, Tomás [Heterocycles, 2003, vol. 60, # 5, p. 1083 - 1094]

11
[ 79491-05-7 ]
3-oxo-4-ethyl-5-(4,5-dibenzoyl-1,3-dithiol-2-ylidene)-6-{N-(4-methylphenyl)carbamoylimino}[1,2]dithiolo[3,4-b][1,4]thiazine [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 2 steps 1: N-bromosuccinimide / CH₂Cl₂ / 0.33 h / 0 °C 2: 32 mg / chlorobenzene / 2 h / 110 °C

Reference： [1]Garcia, Nuria; Fuertes, Pedro; Barriga, Susana; Neo, Ana G.; Miguel, Daniel; Torroba, Tomás [Heterocycles, 2003, vol. 60, # 5, p. 1083 - 1094]

12
[ 79491-05-7 ]
[ 96025-96-6 ]