6794-69-0|4-Phenyl-1H-imidazol-2(3H)-one| Ambeed

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Quality Control of [ 6794-69-0 ] Purity: 98% SDS Specification

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Product Details of [ 6794-69-0 ]

CAS No. :	6794-69-0
Formula :	C₉H₈N₂O
M.W :	160.17
SMILES Code :	O=C1NC(C2=CC=CC=C2)=CN1
MDL No. :	MFCD00518909

Safety of [ 6794-69-0 ]

GHS Pictogram:
Signal Word:	Warning
Hazard Statements:	H302-H315-H319-H335
Precautionary Statements:	P261-P305+P351+P338

Application In Synthesis of [ 6794-69-0 ]

* 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 [ 6794-69-0 ]

[ 6794-69-0 ] Synthesis Path-Downstream 1~35

1
[ 6794-69-0 ]
[ 27129-49-3 ]

References: [1]Journal of Organic Chemistry,1950,vol. 15,p. 1020.

2
[ 89-24-7 ]
[ 6794-69-0 ]

References: [1]Journal of Organic Chemistry,1950,vol. 15,p. 1020.

3
[ 92809-78-4 ]
[ 6794-69-0 ]

References: [1]Journal of the American Chemical Society,1946,vol. 68,p. 2350,2353.

4
[ 590-28-3 ]
[ 5468-37-1 ]
[ 6794-69-0 ]

Yield	Reaction Conditions	Operation in experiment
	With hydrogenchloride; In water; at 20 - 70℃; for 22.0h;pH 1 - 3;	Potassium cyanate (2.00 g, 24.7 mmol) was added in portions, over 15 min, to a stirred solution of 2-aminoacetophenone hydrochloride (3.85 g, 22.4 mmol) in water (130 mL) at 70 0C, while the pEta of the solution was maintained at pEta 1 to 3 by addition of cone, hydrochloric acid. The reaction mixture was stirred at 70 0C for 4 h, then allowed to cool to ambient temperature and stood for 18 h. The title compound was isolated by filtration. MS: mlz = 161 (M + 1).

References: [1]Arzneimittel-Forschung/Drug Research,1992,vol. 42,p. 592 - 594.
[2]Chemische Berichte,1894,vol. 27,p. 582.
Chemische Berichte,1895,vol. 28,p. 254.
[3]Patent: WO2006/29153,2006,A2 .Location in patent: Page/Page column 47.

5
[ 88419-01-6 ]
[ 6794-69-0 ]

References: [1]Journal of Organic Chemistry USSR (English Translation),1983,vol. 19,p. 1533 - 1543.
Zhurnal Organicheskoi Khimii,1983,vol. 19,p. 1728 - 1739.

6
[ 98-86-2 ]
[ 57-13-6 ]
[ 6794-69-0 ]

References: [1]Chemistry of Heterocyclic Compounds,1990,vol. 26,p. 708.
Khimiya Geterotsiklicheskikh Soedinenii,1990,p. 847 - 848.

7
[ 70-11-1 ]
[ 57-13-6 ]
[ 6794-69-0 ]

References: [1]Chemistry of Heterocyclic Compounds,1990,vol. 26,p. 708.
Khimiya Geterotsiklicheskikh Soedinenii,1990,p. 847 - 848.
[2]Bulletin of the Academy of Sciences of the USSR Division of Chemical Science,1990,vol. 39,p. 1297 - 1299.
Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya,1990,p. 1435 - 1437.

8
[ 593-75-9 ]
[ 698-16-8 ]
[ 6794-69-0 ]

References: [1]Liebigs Annalen der Chemie,1980,p. 600 - 610.

9
[ 5468-37-1 ]
[ 57-13-6 ]
[ 6794-69-0 ]

References: [1]Bulletin of the Academy of Sciences of the USSR Division of Chemical Science,1990,vol. 39,p. 1297 - 1299.
Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya,1990,p. 1435 - 1437.

10
[ 97567-79-8 ]
[ 57-13-6 ]
[ 6794-69-0 ]

References: [1]Australian Journal of Chemistry,1985,vol. 38,p. 447 - 458.

11
[ 6794-69-0 ]
[ 7325-39-5 ]
[ 161468-67-3 ]

References: [1]Journal of Organic Chemistry,1995,vol. 60,p. 1565 - 1582.

13
amino-phenyl-acetic acid ethyl ester hydrochloride [ No CAS ]
[ 6794-69-0 ]

References: [1]Journal of the Chemical Society,1957,p. 1443.

14
[ 6794-69-0 ]
[ 64-19-7 ]
concentrated nitric acid (excess) [ No CAS ]
[ 84039-96-3 ]

References: [1]Chemische Berichte,1894,vol. 27,p. 582.
Chemische Berichte,1895,vol. 28,p. 254.

15
[ 6794-69-0 ]
[ 7726-95-6 ]
(4-bromo-phenyloxoacetyl)-urea [ No CAS ]

References: [1]Chemische Berichte,1895,vol. 28,p. 259.

16
[ 6794-69-0 ]
1-halogenepoxy propane [ No CAS ]
1,3-Bis-oxiranylmethyl-4-phenyl-1,3-dihydro-imidazol-2-one [ No CAS ]

References: [1]Arzneimittel-Forschung/Drug Research,1984,vol. 34,p. 663 - 668.

17
[ 5918-93-4 ]
[ 591-50-4 ]
[ 6794-69-0 ]

References: [1]Journal of the American Chemical Society,2007,vol. 129,p. 7768 - 7769.

18
[ 88419-13-0 ]
[ 6794-69-0 ]

References: [1]Journal of Organic Chemistry USSR (English Translation),1983,vol. 19,p. 1533 - 1543.
Zhurnal Organicheskoi Khimii,1983,vol. 19,p. 1728 - 1739.

19
[ 70-11-1 ]
CS₂ [ No CAS ]
[ 6794-69-0 ]

References: [1]Journal of Organic Chemistry USSR (English Translation),1983,vol. 19,p. 1533 - 1543.
Zhurnal Organicheskoi Khimii,1983,vol. 19,p. 1728 - 1739.

20
[ 6794-69-0 ]
[ 93782-04-8 ]

References: [1]Journal of Organic Chemistry,1995,vol. 60,p. 1565 - 1582.

21
[ 6794-69-0 ]
5-Phenyl-1-propyl-1,3-dihydro-imidazol-2-one [ No CAS ]

References: [1]Journal of Organic Chemistry,1995,vol. 60,p. 1565 - 1582.

22
[ 6794-69-0 ]
[ 83229-99-6 ]

References: [1]Journal of Organic Chemistry,1995,vol. 60,p. 1565 - 1582.

23
[ 6794-69-0 ]
(2-Oxo-5-phenyl-2,3-dihydro-imidazol-1-yl)-acetic acid methyl ester [ No CAS ]

References: [1]Journal of Organic Chemistry,1995,vol. 60,p. 1565 - 1582.

24
[ 6794-69-0 ]
[ 161468-69-5 ]

References: [1]Journal of Organic Chemistry,1995,vol. 60,p. 1565 - 1582.

25
[ 6794-69-0 ]
4-(2-Oxo-5-phenyl-2,3-dihydro-imidazol-1-yl)-butyric acid ethyl ester [ No CAS ]

References: [1]Journal of Organic Chemistry,1995,vol. 60,p. 1565 - 1582.

26
[ 6794-69-0 ]
[ 1026743-92-9 ]

References: [1]Journal of Organic Chemistry,1995,vol. 60,p. 1565 - 1582.

27
[ 6794-69-0 ]
[ 1027302-96-0 ]

References: [1]Journal of Organic Chemistry,1995,vol. 60,p. 1565 - 1582.

28
[ 6794-69-0 ]
[ 1025919-95-2 ]

References: [1]Journal of Organic Chemistry,1995,vol. 60,p. 1565 - 1582.

29
[ 6794-69-0 ]
[ 1026573-85-2 ]

References: [1]Journal of Organic Chemistry,1995,vol. 60,p. 1565 - 1582.

30
[ 6794-69-0 ]
[ 161468-68-4 ]

References: [1]Journal of Organic Chemistry,1995,vol. 60,p. 1565 - 1582.

31
[ 6794-69-0 ]
[ 1026342-77-7 ]

References: [1]Journal of Organic Chemistry,1995,vol. 60,p. 1565 - 1582.

32
[ 70-11-1 ]
PBr₂Cl₃ [ No CAS ]
[ 6794-69-0 ]

References: [1]Arzneimittel-Forschung/Drug Research,1992,vol. 42,p. 592 - 594.

33
[ 6794-69-0 ]
[ 93782-05-9 ]

References: [1]Journal of Organic Chemistry,1950,vol. 15,p. 1020.

34
[ 100-97-0 ]
[ 70-11-1 ]
[ 6794-69-0 ]
[ 613-89-8 ]

Yield	Reaction Conditions	Operation in experiment
84%	In ethanol; chloroform;	Preparation 1 Synthesis of 4-phenyl-1,3-dihydro-2-imidazolone 2-Bromoacetophenone (18g, 90mmol) was dissolved in 900mlitre of chloroform. Hexamethylenetetraamine (13.87g, 99mmol) was added thereto and the reaction mixture was stirred at 60 C for 4 hours. After stirring, the reaction mixture was cooled down to room temperature, filtered, and the collected precipitate was suspended in 180mlitre of ethanol. To the suspension thus obtained was added dropwise 90mlitre of conc. HCl, and the reaction mixture was stirred at room temperature for 18 hours. Then, the reaction mixture was filtered to remove a white precipitate, the filtrate was concentrated under reduced pressure to obtain a yellow solid. This solid was recrystallized from a mixture of methanol and ethyl acetate (1:50, v/v) to obtain 13g of 2-aminoacetophenone as a yellow solid. Yield: 84% 1H NMR(DMSO-d6): 4.45(s,2H), 7.5-7.8(m,4H), 8.64(brs,2H), 8.68(s,1H)

References: [1]Patent: EP1021437,2001,B1 .

35
[ 6794-69-0 ]
[ 100-34-5 ]
[ 1078715-71-5 ]

References: [1]Journal of Heterocyclic Chemistry,2008,vol. 45,p. 1437 - 1443.

Historical Records

Technical Information

• Acyl Group Substitution • Chan-Lam Coupling Reaction • Complex Metal Hydride Reductions • Hydride Reductions • Lawesson's Reagent • Preparation of Amines • Reactions of Amines • Reactions of Benzene and Substituted Benzenes • Specialized Acylation Reagents-Carbodiimides and Related Reagents • Specialized Acylation Reagents-Ketenes

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P350	Gently wash with plenty of soap and water.
P351	Rinse cautiously with water for several minutes.
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P353	Rinse skin with water/shower.
P360	Rinse immediately contaminated clothing and skin with plenty of water before removing clothes.
P361	Remove/Take off immediately all contaminated clothing.
P362	Take off contaminated clothing and wash before reuse.
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P372	Explosion risk in case of fire.
P373	DO NOT fight fire when fire reaches explosives.
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P376	Stop leak if safe to do so. Oxidising gases (section 2.4) 1
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P391	Collect spillage. Hazardous to the aquatic environment
P301 + P310	IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician.
P301 + P312	IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
P301 + P330 + P331	IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.
P302 + P334	IF ON SKIN: Immerse in cool water/wrap in wet bandages.
P302 + P350	IF ON SKIN: Gently wash with plenty of soap and water.
P303 + P361 + P353	IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.
P304 + P312	IF INHALED: Call a POISON CENTER or doctor/physician if you feel unwell.
P304 + P340	IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.
P304 + P341	IF INHALED: If breathing is difficult, remove victim to fresh air and keep at rest in a position comfortable for breathing.
P305 + P351 + P338	IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
P306 + P360	IF ON CLOTHING: Rinse Immediately contaminated CLOTHING and SKIN with plenty of water before removing clothes.
P307 + P311	IF exposed: call a POISON CENTER or doctor/physician.
P308 + P313	IF exposed or concerned: Get medical advice/attention.
P309 + P311	IF exposed or if you feel unwell: call a POISON CENTER or doctor/physician.
P332 + P313	IF SKIN irritation occurs: Get medical advice/attention.
P333 + P313	IF SKIN irritation or rash occurs: Get medical advice/attention.
P335 + P334	Brush off loose particles from skin. Immerse in cool water/wrap in wet bandages.
P337 + P313	IF eye irritation persists: Get medical advice/attention.
P342 + P311	IF experiencing respiratory symptoms: call a POISON CENTER or doctor/physician.
P370 + P376	In case of fire: Stop leak if safe to Do so.
P370 + P378	In case of fire:
P370 + P380	In case of fire: Evacuate area.
P370 + P380 + P375	In case of fire: Evacuate area. Fight fire remotely due to the risk of explosion.
P371 + P380 + P375	In case of major fire and large quantities: Evacuate area. Fight fire remotely due to the risk of explosion.
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P402 + P404	Store in a dry place. Store in a closed container.
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CAS No.: 6794-69-0

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CAS No.: 6794-69-0

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Product Details of [ 6794-69-0 ]

Safety of [ 6794-69-0 ]

Application In Synthesis of [ 6794-69-0 ]

[ 6794-69-0 ] Synthesis Path-Downstream 1~35

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