99840-59-2

Basic information

• Product Name: 2H-Benzimidazol-2-one,5-(1,1-dimethylethyl)-1,3-dihydro-(9CI)
• Synonyms: 2H-Benzimidazol-2-one,5-(1,1-dimethylethyl)-1,3-dihydro-(9CI);5-tert-butyl-1H-benzo[d]imidazol-2(3H)-one
• CAS NO: 99840-59-2
• Molecular Formula: C11H14N2O
• Molecular Weight: 190.245
• Product Categories: BENZIMIDAZOLE
• Mol File: 99840-59-2.mol
• Article Data: 8

Chemical Properties

• Boiling Point: 196.2±10.0 °C(Predicted)
• Appearance: /
• Density: 1.094±0.06 g/cm3(Predicted)
• PKA: 12.26±0.30(Predicted)
• CAS DataBase Reference: 2H-Benzimidazol-2-one,5-(1,1-dimethylethyl)-1,3-dihydro-(9CI)(CAS DataBase Reference)
• NIST Chemistry Reference: 2H-Benzimidazol-2-one,5-(1,1-dimethylethyl)-1,3-dihydro-(9CI)(99840-59-2)
• EPA Substance Registry System: 2H-Benzimidazol-2-one,5-(1,1-dimethylethyl)-1,3-dihydro-(9CI)(99840-59-2)

Safety Data

• Hazardous Substances Data: 99840-59-2(Hazardous Substances Data)

Upstream product

• 6310-19-6 4-tert-butyl-2-nitroaniline 
• 32703-79-0 4-tert-butylphthalic anhydride 
• 68176-57-8 4-(tert-butyl)-1,2-diaminobenzene 
• 530-62-1 1,1'-carbonyldiimidazole 

Downstream Products

• 1453097-17-0 1-[5-(1,1-dimethylethyl)-1H-benzimidazol-2-yl]-3-methyl-4-(phenylmethyl)-1H-pyrazol-5-ol 

Relevant articles and documents

Purine compound containing bicyclic group, and preparation method thereof

The invention provides a purine compound containing a bicyclic group which is shown as a formula (I) and a formula (II) and a pharmaceutically acceptable salt, and a preparation method thereof. The compound is an inhibitor of histone methyltransferase DOT1L, and can be used for treating diseases caused by the abnormity of enzyme activity, such as tumor.

An easy one-step synthesis of imidazolin-2-ones from phthalic anhydrides and their antioxidant evaluation

Treatment of phthalic anhydride derivatives with trimethylsilyl azide affords benzimidazolin-2-ones in 45-91% yield, which is the result of two consecutive Curtius reactions. Within the series obtained, 1,3-dihydro-2H-imidazo[4,5-b]pyridin-2-one showed highest antioxidant activity.

Design and synthesis of prostate cancer antigen-1 (PCA-1/ALKBH3) inhibitors as anti-prostate cancer drugs

A series of 1-aryl-3,4-substituted-1H-pyrazol-5-ol derivatives was synthesized and evaluated as prostate cancer antigen-1 (PCA-1/ALKBH3) inhibitors to obtain a novel anti-prostate cancer drug. After modifying 1-(1H-benzimidazol-2-yl)-3,4-dimethyl-1H-pyrazol-5-ol (1), a hit compound found during random screening using a recombinant PCA-1/ALKBH3, 1-(1H-5- methylbenzimidazol-2-yl)-4-benzyl-3-methyl-1H-pyrazol-5-ol (35, HUHS015), was obtained as a potent PCA-1/ALKBH3 inhibitor both in vitro and in vivo. The bioavailability (BA) of 35 was 7.2% in rats after oral administration. As expected, continuously administering 35 significantly suppressed the growth of DU145 cells, which are human hormone-independent prostate cancer cells, in a mouse xenograft model without untoward effects.