6044-73-1

Basic information

• Product Name: 11-(3-fluorophenyl)-3,3-dimethyl-10-(phenylacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
• Synonyms: 11-(3-Fluorophenyl)-3,3-dimethyl-10-(phenylacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one; 1H-Dibenzo[b,e][1,4]diazepin-1-one, 11-(3-fluorophenyl)-2,3,4,5,10,11-hexahydro-3,3-dimethyl-10-(2-phenylacetyl)-
• CAS NO: 6044-73-1
• Molecular Formula: C₆H₁₀Br₂
• Molecular Weight: 454.5353
• Mol File: 6044-73-1.mol
• Article Data: 6

Chemical Properties

• Melting Point: 47-47.5 °C
• Boiling Point: 659.4°C at 760 mmHg
• Flash Point: 352.6°C
• Density: 1.27g/cm³
• Vapor Pressure: 2.92E-17mmHg at 25°C
• Refractive Index: 1.651
• Solubility: DCM, AcOEt, Hexane
• CAS DataBase Reference: 11-(3-fluorophenyl)-3,3-dimethyl-10-(phenylacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one(CAS DataBase Reference)
• NIST Chemistry Reference: 11-(3-fluorophenyl)-3,3-dimethyl-10-(phenylacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one(6044-73-1)
• EPA Substance Registry System: 11-(3-fluorophenyl)-3,3-dimethyl-10-(phenylacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one(6044-73-1)

Safety Data

• Hazardous Substances Data: 6044-73-1(Hazardous Substances Data)

Usage

Uses

(2E)-1,4-Dibromo-2,3-dimethyl-2-butene is a by-product in the synthesis of 1,2,4-Tribromo-2,3-dimethylbutane (T891525) which is a compound useful in organic synthesis.

Upstream product

• 79-29-8 2,3-dimethylbutane 
• 513-81-5 2,3-dimethyl-buta-1,3-diene 
• 73411-22-0 1-phenyl-3,4-dimethyl-3-arsolene 
• 131391-21-4 1,3,4-trimethylarsolene 

Downstream Products

• 598-31-2 1-bromoacetone 
• 1217550-49-6 (E)-8-(3,4-difluorophenoxy)-2,2,6,7-tetramethyl-4-[1,2,4]triazol-1-yloct-6-en-3-one 
• 54062-61-2 (5E,9E)-12-(3-Methoxy-phenyl)-5,6,9-trimethyl-dodeca-5,9-dien-1-ol 
• 54100-19-5 1-Methoxy-3-((3E,7E)-4,7,8-trimethyl-dodeca-3,7,11-trienyl)-benzene 
• 54062-41-8 4-Methyl-4-((E)-3,4,7-trimethyl-octa-3,7-dienyl)-cyclohex-2-enone 
• 53311-19-6 (5E,9E)-12-(3-Methoxy-phenyl)-5,6,9-trimethyl-dodeca-5,9-dienal 
• 138427-93-7 (2RS,3RS)-2,3-dimethyl-1,4-bis(phenylthio)butane-2,3-diol 
• 138427-92-6 (2RS,3SR)-3,4-epoxy-2,3-dimethyl-1-(phenylthio)butan-2-ol 
• 16054-38-9 (E,Z)-1,4-bis(trimethylsilyl)-2,3-dimethyl-2-butene radical cation 
• 20955-40-2 1,4-dibromo-2,3-dimethyl-butane-2,3-diol 
• 513-81-5 2,3-dimethyl-buta-1,3-diene 

Relevant articles and documents

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Total synthesis of celastrol, development of a platform to access celastroid natural products

Celastroid natural products, triterpenes, have been and continue to be investigated in clinical trials. Celastrol, and for that matter any member of the celastroid family, was prepared for the first time through chemical synthesis starting from 2,3-dimethylbutadiene. A triene cyclization precursor generated in 12 steps underwent a nonbiomimetic polyene cyclization mediated by ferric chloride to generate the generic celastroid pentacyclic core. In the cyclization, engagement of a tetrasubstituted olefin formed adjacent all carbon quaternary centers stereospecifically. With access to the carbocyclic core of the family of natural products, wilforic acid and wilforol A were prepared en route to racemic celastrol.

The Reaction of 1,2:3,4-Diepoxy-2,3-dimethylbutane with Nucleophiles

To find out whether the 1,4-addition to 1,2:3,4-diepoxides, which so far has been observed only once, is of a more general character, we investigated the reaction of a variety of O-, C-, N-, and S-nucleophiles with the model compound 1,2:3,4-diepoxy-2,3-dimethylbutane (Scheme 4).In several cases, 1,4-addition products could, indeed, be observed besides the expected 1,2-adducts (Table).