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2-(2,6-dimethoxybenzoyl)-4β-hydroxy-3α-methoxycarbonylcyclohex-1-ene is a complex organic compound with a molecular formula of C18H22O7. It features a cyclohexene ring with a hydroxyl group at the 4β position and a methoxycarbonyl group at the 3α position. The compound also has a 2,6-dimethoxybenzoyl group attached to the cyclohexene ring, which contributes to its chemical properties and potential applications. This molecule is characterized by its unique structure and functional groups, which may have implications in various fields such as pharmaceuticals, materials science, or as a synthetic intermediate in organic chemistry.

76504-90-0

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76504-90-0 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 76504-90-0 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 7,6,5,0 and 4 respectively; the second part has 2 digits, 9 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 76504-90:
(7*7)+(6*6)+(5*5)+(4*0)+(3*4)+(2*9)+(1*0)=140
140 % 10 = 0
So 76504-90-0 is a valid CAS Registry Number.

76504-90-0Relevant academic research and scientific papers

The Chemistry of Fungi. Part 76. The Synthesis and Transformations of Three Steroisomeric 2-(2,6-Dimethoxybenzoyl)-3-methoxycarbonyl-7-oxabicycloheptanes

Borthwick, Alan D.,Curry, David J.,Poynton, Alan,Whalley, W. Basil,Hooper, John W.

, p. 2435 - 2444 (2007/10/02)

Condensation of 1-lithio-2,6-dimethoxybenzene with the anhydride (10) of 7-oxabicycloheptane-2β,3β-dicarboxylic acid and subsequent esterification of the product gave 2β-(2,6-dimethoxybenzoyl)-3β-methoxycarbonyl-7-oxabicycloheptane (8; R1=H, R2=Me).The isomeric 2α-(2,6-dimethoxybenzoyl)-3α-methoxycarbonyl-7-oxabicycloheptane (11; R=Me) was prepared similarly using the anhydride (9) from 7-oxabicycloheptane-2α,3α-dicarboxylic acid.Epimerisation of (11; R=Me) or of (8; R1=H, R2=Me) gave 2α-(2,6-dimethoxybenzoyl)-3β-methoxycarbonyl -7-oxabicycloheptane (12).Treatment with boron trichloride of (11; R=Me) gave 1α-chloro-4β-hydroxy-2α-(2-hydroxy-6-methoxybenzoyl)-3α-methoxycarbonylcyclohexane (13; R=H) and 1,7α-dihydroxy-8β-methoxycarbonyl-5aα,5,6,7,8,8aα-hexahydroxanthone (23; R=H); similarly (8; R1=H, R2=Me) gave 4β-hydroxy-2β-(2-hydroxy-6-methoxybenzoyl)cyclohexane-1β,3β-carbolactone (24; R=H) and 1,7α-dihydroxy-8α-methoxycarbonyl-5aα,5,6,7,8,8aα-hexahydroxanthone (25; R=H).The third isomer (12) formed 4α-chloro-1β-hydroxy-2α-(2-hydroxy-6-methoxybenzoyl)-3β-methoxycarbonylcyclohexane (31; R=H) together with 1,7α-dihydroxy-8α-methoxycarbonyl-5aα,5,6,7,8,8aα-hexahydroxanthone (32; R=H).Hydrogenolysis of (1; R1=R2=Me) or treatment of (11; R=Me) with acid yielded 2-(2,6-dimethoxybenzoyl)-4β-hydroxy-3α-methoxycarbonylcyclohexene (15; R=H); the corresponding acetate (15; R=Ac) was hydroxylated to form 4β-acetoxy-2α-(2,6-dimethoxybenzoyl)-1β,2β-dihydroxy-3α-methoxycarbonylcyclohexane (18) as the major product.The steroisomeric cyclohexene (34; R=H) was similarly obtained.Bromination of the ketone (11; R=Me) gave the α-bromoketone (33): similarly the α-bromoketone (8; R1=Br, R2=Me) was obtained from (8; R1=H, R2=Me).Dehydrobromination of each of these bromoketones formed 2-(2,6-dimethoxybenzoyl)-3-methoxycarbonyl-7-oxabicyclohept-2-ene (1, R1=R2=Me).Various further transformations of these products are described.

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