3-Isopropenyl-2-oxo-1-benzimidazolinebutyric Acid Ethyl Ester

Base Information

• Chemical Name: 3-Isopropenyl-2-oxo-1-benzimidazolinebutyric Acid Ethyl Ester
• CAS No.: 116199-87-2
• Molecular Formula: C16H20 N2 O3
• Molecular Weight: 288.346
• Mol file: 116199-87-2.mol

Synonyms:3-Isopropenyl-2-oxo-1-benzimidazolinebutyric Acid Ethyl Ester;3-Isopropenyl-2-oxo-01-benzimidazolinebutyric Acid Ethyl Ester;

Chemical Property of 3-Isopropenyl-2-oxo-1-benzimidazolinebutyric Acid Ethyl Ester

Chemical Property:

• Boiling Point: 415.6±47.0 °C(Predicted)
• PKA: 0.68±0.20(Predicted)
• PSA: 85.68000
• Density: 1.154±0.06 g/cm3(Predicted)
• LogP: 3.16620
• Storage Temp.: Refrigerator
• Solubility.: Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)

Purity/Quality:

97% ^*data from raw suppliers

3-Isopropenyl-2-oxo-1-benzimidazolinebutyricAcidEthylEster ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: 3-Isopropenyl-2-oxo-1-benzimidazolinebutyric Acid Ethyl Ester (cas# 116199-87-2) is a compound useful in organic synthesis.

Technology Process of 3-Isopropenyl-2-oxo-1-benzimidazolinebutyric Acid Ethyl Ester

There total 2 articles about 3-Isopropenyl-2-oxo-1-benzimidazolinebutyric Acid Ethyl Ester 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:

1,3-dihydro-1-(1-methylethenyl)-2H-benzimidazol-2-one (52099-72-6) + Ethyl 4-bromobutyrate (2969-81-5) → ethyl 2,3-dihydro-3-(1-methyl-ethenyl)-2-oxo-1H-benzimidazol-1-butanoate (116199-87-2)

Guidance literature:

With sodium hydride; In N,N-dimethyl-formamide;

DOI:10.1016/0040-4039(95)00006-X

Reference yield:

1,2-diamino-benzene (95-54-5) → ethyl 2,3-dihydro-3-(1-methyl-ethenyl)-2-oxo-1H-benzimidazol-1-butanoate (116199-87-2)

Guidance literature:

Multi-step reaction with 2 steps

1: 1,8-diazabicyclo[5.4.0]undec-7-ene / xylene / 60.5 h / 120 - 150 °C

2: potassium carbonate / acetone / 18 h / Heating / reflux

With potassium carbonate; 1,8-diazabicyclo[5.4.0]undec-7-ene; In acetone; xylene;

Reference yield: 90.0%

ethyl 2,3-dihydro-3-(1-methyl-ethenyl)-2-oxo-1H-benzimidazol-1-butanoate (116199-87-2) → 4-(1,2-dihydro-2-oxobenzo[d]imidazole-3-yl)butanoic acid (3273-68-5)

Guidance literature:

ethyl 2,3-dihydro-3-(1-methyl-ethenyl)-2-oxo-1H-benzimidazol-1-butanoate; With sodium hydroxide; In water; Heating;

With hydrogenchloride; for 23h; pH=1 - 2; Reflux; Heating;

upstream raw materials:

1,3-dihydro-1-(1-methylethenyl)-2H-benzimidazol-2-one

Ethyl 4-bromobutyrate

1,2-diamino-benzene

Downstream raw materials:

4-(3-isopropenyl-2-oxo-2,3-dihydro-benzoimidazol-1-yl)-butyric acid

(6S,7S)-7-hydroxy-6-{[(S)-3-(2-hydroxyphenyl)-1-methylpropyl]amino}-4,5,6,7-tetrahydroimidazo[4,5,1-jk][1]benzazepin-2(1H)-one

(6R,7R)-7-hydroxy-6-{[(R)-3-(2-hydroxyphenyl)-1-methylpropyl]amino}-4,5,6,7-tetrahydroimidazo[4,5,1-jk][1]benzazepin-2(1H)-one

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