| Identification | More | [Name]
1-ISOPROPENYL-2-BENZIMIDAZOLIDINONE | [CAS]
52099-72-6 | [Synonyms]
1-(2-PROPENYL)-2-BENZIMIDAZOLIDINONE
1,3-DIHYDRO-1-(1-METHYLETHENYL)-2H-BENZIMIDAZOLE-2-ONE
1-ISOPROPENYL-1,3-DIHYDRO-2H-1,3-BENZIMIDAZOL-2-ONE
1-ISOPROPENYL-2-BENZIMIDAZOLIDINONE
IFLAB-BB F0451-0304
ISOPROPENYL-BENZIMIDAZOLIDINONE-2
TIMTEC-BB SBB006406
1-(methylvinyl)-1H-benzimidazol-2(3H)-one
1-Isopropenyl-1H-benzimidazol-2(3H)-one
1,3-dihydro-1-(1-methylvinyl)-2H-benzimidazol-2-one
1,3-Dihydro-1-(1-Methylethenyl)-2H-Benzimidazol-2-One
2H-Benzimidazol-2-one,1,3-dihydro-1-(1-methylethenyl)-(9CI)
1,3-Dihydro-1-(1-methylvinyl)-2H-benzimidazol-2-on
1,3-DIHYDRO-1-(1-METHYLETHENYL)-2H-BENZIMIDAZOLE-2-ONE 99%
2-BENZIMIDAZOLINONE,1-ISOPROPENYL
1-Isopropenyl-2-benzimidazolidinone, 98+%
1,3-Dihydro-1-(1-methylethenyl)-2H-benzimidazole-2-one, 1-(2-Propenyl)-2-benzimidazolidinone
3-Isopropenyl-1H-benzimidazole-2(3H)-one
1-(prop-1-en-2-yl)-1H-benzo(d)imidazol-2(3H)-one | [EINECS(EC#)]
257-661-5 | [Molecular Formula]
C10H10N2O | [MDL Number]
MFCD00218253 | [Molecular Weight]
174.2 | [MOL File]
52099-72-6.mol |
| Chemical Properties | Back Directory | [Appearance]
Off-White Crystalline Solid | [Melting point ]
120-124 °C
| [Boiling point ]
305.17°C (rough estimate) | [density ]
1.1455 (rough estimate) | [refractive index ]
1.6300 (estimate) | [storage temp. ]
Inert atmosphere,Room Temperature | [solubility ]
Chloroform (Slightly), Methanol (Slightly) | [form ]
Crystalline Powder | [pka]
11.72±0.30(Predicted) | [color ]
White to slightly cream | [BRN ]
140587 | [InChI]
InChI=1S/C10H10N2O/c1-7(2)12-9-6-4-3-5-8(9)11-10(12)13/h3-6H,1H2,2H3,(H,11,13) | [InChIKey]
XFASJWLBXHWUMW-UHFFFAOYSA-N | [SMILES]
C1(=O)N(C(C)=C)C2=CC=CC=C2N1 | [CAS DataBase Reference]
52099-72-6(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
Xn,T | [Risk Statements ]
R22:Harmful if swallowed.
R25:Toxic if swallowed. | [Safety Statements ]
S22:Do not breathe dust .
S24/25:Avoid contact with skin and eyes .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) . | [RIDADR ]
UN 2810 6.1/PG 3 | [WGK Germany ]
3 | [REACH Registrations]
Inactive | [HazardClass ]
6.1 | [HS Code ]
29339980 | [Storage Class]
6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects | [Hazard Classifications]
Acute Tox. 3 Oral |
| Hazard Information | Back Directory | [Chemical Properties]
Off-White Crystalline Solid | [Uses]
1-Isopropenyl-2-benzimidazolidinone serves as a precursor in the synthesis of lead compounds that are evaluated against TPC-806 in human chymase enzyme assays[6]. | [Synthesis]
General procedure for the synthesis of 1,3-dihydro-1-(1-methylethynyl)-2H-benzimidazol-2-one from ethyl acetoacetate and o-phenylenediamine: 50 grams of o-phenylenediamine, 90 grams of ethyl acetoacetate, and 5 grams of sodium hydroxide were dissolved in 300 ml of o-xylene. The reaction was refluxed at 130°C for about 7 hours, during which time the water generated was removed by means of a water separator. Upon completion of the reaction, the reaction mixture was cooled to 80 °C and washed twice with 100 ml of water to remove water-soluble impurities. Subsequently, the mixture was cooled to 0 °C to allow the target product to precipitate as a white solid. The solid product was collected by filtration and dried to give 65 g of 1,3-dihydro-1-(1-methylethynyl)-2H-benzimidazol-2-one (DOM-2) in 94% yield. | [References]
[1] Patent: CN108129396, 2018, A. Location in patent: Paragraph 0022; 0023; 0033; 0034
[2] Bulletin des Societes Chimiques Belges, 1987, vol. 96, # 10, p. 787 - 792
[3] Patent: CN102816121, 2016, B. Location in patent: Paragraph 0022-0024
[4] Journal of Chemical Research - Part S, 1996, # 2, p. 92 - 93
[5] Russian Journal of Physical Chemistry A, 2015, vol. 89, # 5, p. 807 - 811 |
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Aemon Chemical
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