21900-36-7

Basic information

• Product Name: 3-TERT-BUTYLBENZOYLCHLORIDE
• Synonyms: 3-TERT-BUTYLBENZOYLCHLORIDE
• CAS NO: 21900-36-7
• Molecular Formula: C₁₁H₁₃ClO
• Molecular Weight: 196.68
• Product Categories: Carbonyl Chlorides;Phenyls & Phenyl-Het;Carbonyl Chlorides;Phenyls & Phenyl-Het
• Mol File: 21900-36-7.mol
• Article Data: 5

Chemical Properties

• Appearance: /
• CAS DataBase Reference: 3-TERT-BUTYLBENZOYLCHLORIDE(CAS DataBase Reference)
• NIST Chemistry Reference: 3-TERT-BUTYLBENZOYLCHLORIDE(21900-36-7)
• EPA Substance Registry System: 3-TERT-BUTYLBENZOYLCHLORIDE(21900-36-7)

Safety Data

• Hazardous Substances Data: 21900-36-7(Hazardous Substances Data)

Upstream product

• 7498-54-6 3-t-Butylbenzoic acid 

Downstream Products

• 27330-57-0 methyl 3-(tert-butyl)benzoate 
• 84603-40-7 3-tert.-Butyl-4'-methyl-benzophenon 
• 104182-35-6 4-(3-tert-Butyl-benzoylamino)-benzoic acid 
• 1163720-10-2 3-tert-butyl-N-(3-(3-oxo-3,4-dihydropyrido[2,3-b]pyrazin-8-yloxy)phenyl)benzamide 
• 1163720-15-7 3-tert-butyl-N-(3-(2-methyl-3-oxo-3,4-dihydropyrido[2,3-b]pyrazin-8-yloxy)phenyl)benzamide 
• 1450828-18-8 5-(3-(tert-butyl)phenyl)-1,3,4-oxadiazol-2-amine 

Relevant articles and documents

From Lead to Drug Candidate: Optimization of 3-(Phenylethynyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine Derivatives as Agents for the Treatment of Triple Negative Breast Cancer

Herein we report the sophisticated process of structural optimization toward a previously disclosed Src inhibitor, compound 1, which showed high potency in the treatment of triple negative breast cancer (TNBC) both in vitro and in vivo but had considerable toxicity. A series of 3-(phenylethynyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine derivatives were synthesized. In vitro cell-based phenotypic screening together with in vivo assays and structure-activity relationship (SAR) studies finally led to the discovery of N-(3-((4-amino-1-(trans-4-hydroxycyclohexyl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl)ethynyl)-4-methylphenyl)-4-methyl-3-(trifluoromethyl)benzamide (13an). 13an is a multikinase inhibitor, which potently inhibited Src (IC50 = 0.003 μM), KDR (IC50 = 0.032 μM), and several kinases involved in the MAPK signal transduction. This compound showed potent anti-TNBC activities both in vitro and in vivo, and good pharmacokinetic properties and low toxicity. Mechanisms of action of anti-TNBC were also investigated. Collectively, the data obtained in this study indicate that 13an could be a promising drug candidate for the treatment of TNBC and hence merits further studies.

Metal-free aryltrifluoromethylation of activated alkenes

Metal-free: The first metal-free aryltrifluoromethylation of activated alkenes has been developed. With this method, trifluoromethylated isoquinolinediones, spirobicycles, oxindoles, and α-aryl-β- trifluoromethylamides were obtained with high control of the regioselectivity. Copyright

Antitumor Activity of 5-Aryl-2,3-dihydroimidazoisoquinolines

A series of 5-aryl-2,3-dihydroimidazoisoquinolines previously reported to be platelet activating factor (PAF) receptor antagonist were evaluated for potential antitumor activity.Several compounds, such as the 5-(4'-tert-butylphenyl) (65), 5- (69), and 5-(4'-cyclohexylphenyl) (71) analogs showed very good cytotoxicity against several tumor cell lines. 5--2,3-dihydroimidazoisoquinoline (SDZ 62-434, 53) was more effective on a milligram per kilogram basis than the clinical cytostatic agent edelfosine (1) in increasing survivors and decreasing tumor volume in the oral mouse Meth A fibrosarcoma assay.It was selected for further development and is currently in phase I clinical trials in cancer patients.