Butanamide, N-(2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)-3-oxo-

Base Information

• Chemical Name: Butanamide, N-(2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)-3-oxo-
• CAS No.: 26576-46-5
• Molecular Formula: C11H11N3O3
• Molecular Weight: 233.227
• Hs Code.: 2933990090
• European Community (EC) Number: 247-820-7
• UNII: C6DI014W3H
• DSSTox Substance ID: DTXSID7044631
• Nikkaji Number: J26.618C
• Wikidata: Q27275257
• ChEMBL ID: CHEMBL3187749
• Mol file: 26576-46-5.mol

Synonyms:Butanamide, N-(2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)-3-oxo-;5-(Acetoacetamido)-2-benzimidazolinone;5-(acetoacetylamino)benzimidazolone;3-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide;C6DI014W3H;5-ACETOACETAMIDO-2-BENZIMIDAZOLINONE;DTXSID7044631;3-Oxo-N-(2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)butanamide;N-(2,3-Dihydro-2-oxo-1H-benzimidazol-5-yl)-3-oxobutyramide;CBMicro_013118;5-Acetoacetamino benzimidazolone;UNII-C6DI014W3H;5-Acetylacetamidobenzimidazolone;SCHEMBL1152724;5-(ACETOACETYLAMINO)-1H-BENZIMIDAZOL-2(3H)-ONE;CHEMBL3187749;DTXCID5024631;5-(acetoacetamido)benzimidazolone;BBA57646;BCP12036;SMSF0004072;EINECS 247-820-7;Tox21_302667;MFCD00444508;AKOS000164626;CB02632;NCGC00256730-01;5-(ACETYLACETAMIDO)BENZIMIDAZOLONE;5-ACETOACETAMIDO-2-BENZIMIDAZOLONE;AC-13331;BIM-0013064.P001;CAS-26576-46-5;CS-0154064;FT-0619921;5-acetoacetylamino benzimidazolone, AldrichCPR;5-(ACETOACETYLAMINO)BENZIMIDAZOL-2-ONE;EC 247-820-7;W-110667;Q27275257;(2H)Benzimidazol-2-one,1,3-dihydro-5-acetoacetyl-amino-;n-(2,3-dihydro-2-oxo-1h-benzimidazol-5-yl)-3-oxo-butanamide;3-oxo-N-(2-oxo-2,3-dihydro-1H-benzo[d]imidazol-5-yl)butanamide

Chemical Property of Butanamide, N-(2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)-3-oxo-

Chemical Property:

• Appearance/Colour: White to off-white powder
• Vapor Pressure: 1.06E-05mmHg at 25°C
• Melting Point: 350 °C
• Refractive Index: 1.617
• Boiling Point: 370.999 °C at 760 mmHg
• PKA: 11.02±0.46(Predicted)
• Flash Point: 153.5 °C
• PSA: 94.82000
• Density: 1.369 g/cm³
• LogP: 0.84680
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: soluble in Dimethylformamide
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 233.08004122
• Heavy Atom Count: 17
• Complexity: 356

Purity/Quality:

99% ^*data from raw suppliers

5-(Acetoacetamido)-2-benzimidazolinone ^*data from reagent suppliers

Safty Information:

• Pictogram(s): O,C,Xi
• Hazard Codes: O,C,Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)CC(=O)NC1=CC2=C(C=C1)NC(=O)N2
• Uses: 5-Acetoacetylaminobenzimidazolone is used for the manufacture of organic pigments.

Technology Process of Butanamide, N-(2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)-3-oxo-

There total 3 articles about Butanamide, N-(2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)-3-oxo- which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 92.0%

4-methyleneoxetan-2-one (674-82-8,2130-41-8) + 5-amino-1,3-dihydro-benzoimidazol-2-one (95-23-8) → 5-Acetoacetyl-amino-benzimidazol-2-one (26576-46-5)

Guidance literature:

In acetonitrile; at 100 ℃; for 2h;

Reference yield:

→ 5-Acetoacetyl-amino-benzimidazol-2-one (26576-46-5)

Guidance literature:

5-Aminobenzimidazolon-(2), Diketen;

Reference yield:

1,2-diamino-benzene (95-54-5) + 1-chloro-2,4-dinitro-benzene (97-00-7) + urea (57-13-6) → 5-Acetoacetyl-amino-benzimidazol-2-one (26576-46-5)

Guidance literature:

1,2-diamino-benzene; With sulfuric acid; edetate disodium; In 1,2-dichloro-ethane; at 72 ℃; for 2h;

With sulfuric acid; copper; In water; at 65 ℃;

1-chloro-2,4-dinitro-benzene; urea; Temperature; Further stages;

upstream raw materials:

4-methyleneoxetan-2-one

5-amino-1,3-dihydro-benzoimidazol-2-one

1,2-diamino-benzene

1-chloro-2,4-dinitro-benzene

Downstream raw materials:

2-{[2-oxo-1-(2-oxo-2,3-dihydro-1H-benzoimidazol-5-ylcarbamoyl)-propylidene]-hydrazino}-benzoic acid

C.I. pigment yellow 180

Pigment Yellow 175

Refernces

• 1、 -. "A one-pot synthesis of 5 - acetyl aminobenzimidazole ketone". Paragraph 0023; 0024. . Retrieved 2017/08/25.
• 2、 -. "Non-aqueous pigment dispersions containing specific dispersion synergists". Page/Page column 38-39. . Retrieved 2008/06/13.