30132-23-1

Basic information

• Product Name: ethyl 3-bromo-2-oxocyclohexanecarboxylate
• Synonyms: ethyl 3-bromo-2-oxocyclohexanecarboxylate;2-Oxo-3-bromocyclohexanecarboxylic acid ethyl ester;3-Bromo-2-oxo-1-cyclohexanecarboxylic acid ethyl ester;2-Bromo-6-(carbethoxy)cyclohexanone;2-Bromo-6-(ethoxycarbonyl)cyclohexanone;2-Carbethoxy-6-bromocyclohexanone;6-Bromo-2-(carbethoxy)cyclohexanone;Ethyl 6-bromocyclohexanone-2-carboxylate
• CAS NO: 30132-23-1
• Molecular Formula: C₉H₁₃BrO₃
• Molecular Weight: 249.10172
• EINECS: 250-065-6
• Mol File: 30132-23-1.mol
• Article Data: 27

Chemical Properties

• Boiling Point: 295.9°Cat760mmHg
• Flash Point: 132.7°C
• Appearance: /
• Density: 1.453
• Vapor Pressure: 0.00148mmHg at 25°C
• Refractive Index: 1.5280
• Storage Temp.: -20°C Freezer
• Solubility: Acetone; Dichloromethane; Ethyl Acetate; Methanol
• PKA: 10.39±0.40(Predicted)
• CAS DataBase Reference: ethyl 3-bromo-2-oxocyclohexanecarboxylate(CAS DataBase Reference)
• NIST Chemistry Reference: ethyl 3-bromo-2-oxocyclohexanecarboxylate(30132-23-1)
• EPA Substance Registry System: ethyl 3-bromo-2-oxocyclohexanecarboxylate(30132-23-1)

Safety Data

• Hazardous Substances Data: 30132-23-1(Hazardous Substances Data)

Usage

Description

Ethyl 3-bromo-2-oxocyclohexanecarboxylate is an organic compound that serves as a key intermediate in the synthesis of various hydrocarbons and organic compounds. It is characterized by its unique molecular structure, which consists of a cyclohexane ring with a bromo and an oxo group attached to the 3rd and 2nd carbon atoms, respectively, and an ester group formed with ethyl and carboxylate groups.

Uses

Used in Chemical Synthesis:
Ethyl 3-bromo-2-oxocyclohexanecarboxylate is used as an intermediate in the synthesis of trans-1,2-Dimethylcyclopentane (D464925), a hydrocarbon found in sedimentary rocks. ethyl 3-bromo-2-oxocyclohexanecarboxylate is important for determining the maturation history of these rocks, providing valuable insights into their geological formation and potential applications in the energy and chemical industries.
Used in Petroleum Industry:
In the petroleum industry, ethyl 3-bromo-2-oxocyclohexanecarboxylate plays a crucial role in the synthesis of trans-1,2-Dimethylcyclopentane, which is used to study the maturation history of sedimentary rocks. Understanding the maturation history of these rocks is essential for assessing their potential as sources of hydrocarbons and other valuable resources.
Used in Organic Chemistry Research:
Ethyl 3-bromo-2-oxocyclohexanecarboxylate is also used in organic chemistry research as a versatile building block for the synthesis of various organic compounds. Its unique molecular structure allows for a wide range of chemical reactions, making it a valuable tool for the development of new compounds with potential applications in various industries, such as pharmaceuticals, materials science, and agrochemicals.

InChI:InChI=1/C9H13BrO3/c1-2-13-9(12)6-4-3-5-7(10)8(6)11/h6-7H,2-5H2,1H3

Upstream product

• 1655-07-8 ethyl 2-oxocyclohexane carboxylate 
• 35244-51-0 ethyl-2-(1-piperidinyl)-2-cyclohexenecarboxylate 
• 35244-45-2 ethyl-2-(1-piperidinyl)-1-cyclohexenecarboxylate 
• 7726-95-6 bromine 

Downstream Products

• 3400-80-4 ethyl 2-oxocyclohex-3-ene-1-carboxylate 
• 1655-07-8 ethyl 2-oxocyclohexane carboxylate 
• 118-61-6 2-hydroxy-benzoic acid ethyl ester 
• 942-01-8 1,2,3,4-tetrahydrocarbazole 
• 53512-43-9 Ethyl-6-methylthiocyclohexanon-2-carboxylat 
• 1154-73-0 3-(2-Aethoxycarbonyl-aethylmercapto)-2-oxo-cyclohexan-1-carbonsaeure-aethylester 
• 76488-59-0 2-m-Tolylamino-4,5,6,7-tetrahydro-benzothiazole-4-carboxylic acid ethyl ester 
• 76488-60-3 2-p-Tolylamino-4,5,6,7-tetrahydro-benzothiazole-4-carboxylic acid ethyl ester 
• 76488-58-9 2-o-Tolylamino-4,5,6,7-tetrahydro-benzothiazole-4-carboxylic acid ethyl ester 
• 76488-54-5 2-(3-Chloro-phenylamino)-4,5,6,7-tetrahydro-benzothiazole-4-carboxylic acid ethyl ester 
• 76488-64-7 2-(4-Ethoxy-phenylamino)-4,5,6,7-tetrahydro-benzothiazole-4-carboxylic acid ethyl ester 
• 76488-57-8 2-(4-Bromo-phenylamino)-4,5,6,7-tetrahydro-benzothiazole-4-carboxylic acid ethyl ester 
• 76488-56-7 2-(2-Bromo-phenylamino)-4,5,6,7-tetrahydro-benzothiazole-4-carboxylic acid ethyl ester 
• 76488-63-6 2-(2-Ethoxy-phenylamino)-4,5,6,7-tetrahydro-benzothiazole-4-carboxylic acid ethyl ester 

Relevant articles and documents

Construction of the Fused Pentacycle of Talatisamine via a Combination of Radical and Cationic Cyclizations

The fused 6/7/5/6/6-membered (ABCDE) ring system of talatisamine was synthesized in 22 steps. After preparation of the AE-ring structure from 2-(ethoxycarbonyl)cyclohexanone, elaboration of the carboskeleton was realized by sequential additions of allyl magnesium bromide and the lithiated C-ring. The C11-bridgehead radical derived from the ACE-ring underwent the 7-endo cyclization with the enone moiety to form the B-ring in C10-stereoselective and C11-stereospecific manners. The 6-endo cyclization of the remaining D-ring was in turn attained by using the silyl enol ether as the nucleophile and the PhSeCl-activated olefin as the electrophile. These radical and cationic cyclizations were demonstrated to be highly chemoselective, and they significantly contributed to streamlining the route to the intricately fused pentacycle of talatisamine.

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