56586-13-1 Usage
Description
2-METHYL-1-CYCLOHEXANECARBOXYLIC ACID is an organic compound with the chemical formula C8H14O2. It is a white crystalline solid that is soluble in organic solvents and has a molecular weight of 142.2 g/mol. 2-METHYL-1-CYCLOHEXANECARBOXYLIC ACID is characterized by the presence of a cyclohexane ring with a carboxylic acid group at the 1-position and a methyl group at the 2-position. It is an important intermediate in the synthesis of various chemical compounds and has potential applications in different industries.
Uses
Used in Chemical Synthesis:
2-METHYL-1-CYCLOHEXANECARBOXYLIC ACID is used as a key intermediate in the synthesis of substituted cyclohexyl carbonyl chlorides. These compounds are valuable building blocks in the production of pharmaceuticals, agrochemicals, and other specialty chemicals. The cyclohexane ring provides a rigid and stable structure, while the carboxylic acid and carbonyl chloride groups offer versatile functional groups for further chemical reactions.
Used in Pharmaceutical Industry:
In the pharmaceutical industry, 2-METHYL-1-CYCLOHEXANECARBOXYLIC ACID is used as a starting material for the synthesis of various drug candidates. Its unique structure and functional groups make it an attractive candidate for the development of new drugs with improved potency, selectivity, and pharmacokinetic properties. The cyclohexane ring can be easily modified to introduce different functional groups, enabling the design of novel drug molecules with specific therapeutic targets.
Used in Agrochemical Industry:
2-METHYL-1-CYCLOHEXANECARBOXYLIC ACID is also used in the agrochemical industry for the synthesis of active ingredients in pesticides and herbicides. Its structural features and functional groups can be tailored to target specific pests or weeds, leading to the development of more effective and environmentally friendly agrochemicals.
Used in Specialty Chemicals:
In the specialty chemicals sector, 2-METHYL-1-CYCLOHEXANECARBOXYLIC ACID is employed in the production of various high-value compounds, such as fragrances, dyes, and polymer additives. Its unique structure and reactivity make it suitable for the synthesis of complex molecules with specific properties and applications.
Check Digit Verification of cas no
The CAS Registry Mumber 56586-13-1 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 5,6,5,8 and 6 respectively; the second part has 2 digits, 1 and 3 respectively.
Calculate Digit Verification of CAS Registry Number 56586-13:
(7*5)+(6*6)+(5*5)+(4*8)+(3*6)+(2*1)+(1*3)=151
151 % 10 = 1
So 56586-13-1 is a valid CAS Registry Number.
InChI:InChI=1/C8H14O2/c1-6-4-2-3-5-7(6)8(9)10/h6-7H,2-5H2,1H3,(H,9,10)
56586-13-1Relevant articles and documents
Catalytic hydrogenation products of aromatic and aliphatic dicarboxylic acids
Shinde, Sunil B.,Deshpande, Raj M.
, p. 1137 - 1142 (2019/04/05)
Hydrogenation of aromatic dicarboxylic acids gave 100 % selectivity to respective cyclohexane dicarboxylic acid with 5 % Pd/C catalyst. 5 % Ru/C catalyst was observed to give over hydrogenation products at 493 K and at lower temperature (453 K) the selectivity for cyclohexane dicarboxylic acids was increased. Hydrogenation of phthalic acid with Ru-Sn/Al2O3 catalyst was observed to give phthalide instead of 1,2-benzene dimethanol or 2-hydroxy methyl benzoic acid. Ru-Sn/Al2O3 catalyst selectively hydrogenated the carboxylic group of cyclohexane dicarboxylic acids to give cyclohexane dimethanol. Use of proper catalysts and reaction conditions resulted in desired products.
Selective heterogeneous palladium-catalyzed hydrogenations of watersoluble alkenes and alkynes
Tour, James M.,Pendalwar, Shekhar L.
, p. 4719 - 4722 (2007/10/02)
Treatment of water-soluble alkenes or alkynes with palladium(II) acetate and triethoxysilane at room temperature afforded the corresponding hydrogenated products in high yields. Simple introduction of a stoichiometric amount of hydrogen is accomplished by using triethoxysilane as the hydrogen source.
Lactone Formation in Superacidic Media
Carr, Graham,Whittaker, David
, p. 1877 - 1880 (2007/10/02)
The reaction of substituted 1-hydroxycyclohexanecarboxylic acids in fluorosulphuric acid has been studied.Cyclisation takes place around 0 deg C, accompanied by rearrangement in appropriate cases, yielding the thermodynamically stable lactone or mixture of lactones.An unexpected feature of these reactions is that the carboxy-substituted cyclohexyl carbocation does not undergo ring contraction, unlike the unsubstituted cyclohexyl carbocation, although the cycloheptyl system contracts to cyclohexyl.We suggest that the cyclohexyl carbocation is strongly stabilised by carboxyl substitution, as a result of through-space interaction between the carboxyl oxygen atom and the carbocation centre.
