2-[[1-[[(2,3-Dihydro-2-oxo-1h-benzimidazol-5-yl)amino]carbonyl]-2-oxopropyl]azo]benzoic acid

Base Information

• Chemical Name: 2-[[1-[[(2,3-Dihydro-2-oxo-1h-benzimidazol-5-yl)amino]carbonyl]-2-oxopropyl]azo]benzoic acid
• CAS No.: 31837-42-0
• Deprecated CAS: 61036-28-0,31206-98-1,31206-98-1
• Molecular Formula: C18H15N5O5
• Molecular Weight: 381.348
• Hs Code.: 3204170000
• European Community (EC) Number: 250-830-4
• DSSTox Substance ID: DTXSID60865612
• Nikkaji Number: J34.931C
• Mol file: 31837-42-0.mol

Synonyms:31837-42-0;2-[[1,3-dioxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]butan-2-yl]diazenyl]benzoic acid;EINECS 250-830-4;2-[[1-[[(2,3-dihydro-2-oxo-1h-benzimidazol-5-yl)amino]carbonyl]-2-oxopropyl]azo]benzoic acid;EC 250-830-4;Benzoic acid, 2-((1-(((2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)amino)carbonyl)-2-oxopropyl)azo);Benzoic acid, 2-((1-(((2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)amino)carbonyl)-2-oxopropyl)azo)-;Benzoic acid, 2-(2-(1-(((2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)amino)carbonyl)-2-oxopropyl)diazenyl)-;2-((1-(((2,3-Dihydro-2-oxo-1H-benzimidazol-5-yl)amino)carbonyl)-2-oxopropyl)azo)benzoic acid;Benzoic acid, 2-[[1-[[(2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)amino]carbonyl]-2-oxopropyl]azo]-;SCHEMBL1617078;DTXSID60865612;MFCD01940586;W-110808;2-[[1-[[(2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)amino]carbonyl]-2-oxopropyl]azo]-Benzoicacid;2-[2-[1-[[(2,3-Dihydro-2-oxo-1H-benzimidazol-5-yl)amino]carbonyl]-2-oxopropyl]diazenyl]-benzoic acid;61036-28-0;Benzoic acid, 2-[[1-[[(2,3-dihydro-2-oxo- 1H-benzimidazol-5-yl)amino]carbonyl]-2-oxopropyl ]azo]-

Chemical Property of 2-[[1-[[(2,3-Dihydro-2-oxo-1h-benzimidazol-5-yl)amino]carbonyl]-2-oxopropyl]azo]benzoic acid

Chemical Property:

• Appearance/Colour: bright yellow powder
• Vapor Pressure: 8.84E-13mmHg at 25°C
• Refractive Index: 1.721
• Boiling Point: 546.6 °C at 760 mmHg
• PKA: 1.55±0.59(Predicted)
• Flash Point: 284.4 °C
• PSA: 156.84000
• Density: 1.55 g/cm³
• LogP: 2.30740
• Solubility.: 210μg/L in organic solvents at 20 ℃
• Water Solubility.: 17.8μg/L at 25℃
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 6
• Exact Mass: 381.10731860
• Heavy Atom Count: 28
• Complexity: 681

Purity/Quality:

99% ^*data from raw suppliers

PIGMENT YELLOW 151 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C(C(=O)NC1=CC2=C(C=C1)NC(=O)N2)N=NC3=CC=CC=C3C(=O)O

Technology Process of 2-[[1-[[(2,3-Dihydro-2-oxo-1h-benzimidazol-5-yl)amino]carbonyl]-2-oxopropyl]azo]benzoic acid

There total 3 articles about 2-[[1-[[(2,3-Dihydro-2-oxo-1h-benzimidazol-5-yl)amino]carbonyl]-2-oxopropyl]azo]benzoic acid 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: 89.0%

anthranilic acid (118-92-3,159201-01-1,50816-84-7,80206-34-4,104809-47-4) + 5-Acetoacetyl-amino-benzimidazol-2-one (26576-46-5) → 2-{[2-oxo-1-(2-oxo-2,3-dihydro-1H-benzoimidazol-5-ylcarbamoyl)-propylidene]-hydrazino}-benzoic acid (31837-42-0)

Guidance literature:

anthranilic acid; With hydrogenchloride; In water;

With sodium nitrite; In water; at 0 ℃; for 0.5h;

5-Acetoacetyl-amino-benzimidazol-2-one; With acetic acid; sodium hydroxide; In water; at 20 ℃; for 6h; Product distribution / selectivity;

Reference yield:

2-carboxybenzene diazonium chloride (4661-46-5) + 5-Acetoacetyl-amino-benzimidazol-2-one (26576-46-5) → 2-{[2-oxo-1-(2-oxo-2,3-dihydro-1H-benzoimidazol-5-ylcarbamoyl)-propylidene]-hydrazino}-benzoic acid (31837-42-0)

Guidance literature:

5-Acetoacetyl-amino-benzimidazol-2-one; With sodium hydroxide; In water;

2-carboxybenzene diazonium chloride; With sodium hydroxide; acetic acid; In water; Product distribution / selectivity;

Reference yield:

→ 2-{[2-oxo-1-(2-oxo-2,3-dihydro-1H-benzoimidazol-5-ylcarbamoyl)-propylidene]-hydrazino}-benzoic acid (31837-42-0)

Guidance literature:

Diazoniumsalz /Z0473210351/, 5-(Acetoacetylamino)-2-benzimidazolin;

upstream raw materials:

2-carboxybenzene diazonium chloride

5-Acetoacetyl-amino-benzimidazol-2-one

anthranilic acid

Refernces

• 1、 -. "Nanosized particles of benzimidazolone pigments". Page/Page column 19. . Retrieved 2009/04/24.