138943-96-1 Usage
Explanation
The IUPAC name is a standardized nomenclature system used to name chemical compounds. It provides information about the structure and arrangement of atoms in the molecule.
Explanation
The compound has a cyclic dioxane structure, which is a six-membered ring containing two oxygen atoms. It also contains a carboxylic acid group (-COOH) and a methyl group (-CH3) attached to the ring.
Explanation
Isomers are compounds with the same molecular formula but different spatial arrangements of atoms. In this case, the cis isomer refers to the specific arrangement of the carboxylic acid and methyl groups on the same side of the dioxane ring.
Explanation
Functional groups are specific groups of atoms within a molecule that have characteristic chemical properties and reactivity. In this compound, the functional groups are the carboxylic acid (-COOH), the cyclic dioxane ring, and the methyl group (-CH3).
Explanation
Although the exact melting point is not provided, most carboxylic acid derivatives with similar molecular structures are solids at room temperature.
Explanation
This compound is used as a building block or intermediate in the production of various pharmaceuticals and other organic compounds due to its unique structure and reactivity.
Explanation
The cis configuration refers to the spatial arrangement of the carboxylic acid and methyl groups on the dioxane ring, with both groups being on the same side of the ring. This arrangement affects the compound's properties and reactivity.
Explanation
This compound is important in the field of organic chemistry due to its unique structure, reactivity, and applications in the synthesis of various organic compounds and pharmaceuticals.
Explanation
The compound's versatility and unique properties make it valuable for use in a range of industrial applications, particularly in the synthesis of pharmaceuticals and other organic compounds.
Structure
Cyclic dioxane with a carboxylic acid group and a methyl group
Isomer
cis isomer of 1,3-dioxane-5-carboxylic acid, 2-methyl-
Functional Groups
Carboxylic acid, cyclic dioxane, and methyl group
Physical State
Likely a solid at room temperature
Application
Intermediate in the synthesis of pharmaceuticals and other organic compounds
Configuration
cis
Field of Relevance
Organic Chemistry
Industrial Applications
Widely used in various industrial applications
Check Digit Verification of cas no
The CAS Registry Mumber 138943-96-1 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,3,8,9,4 and 3 respectively; the second part has 2 digits, 9 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 138943-96:
(8*1)+(7*3)+(6*8)+(5*9)+(4*4)+(3*3)+(2*9)+(1*6)=171
171 % 10 = 1
So 138943-96-1 is a valid CAS Registry Number.
138943-96-1Relevant articles and documents
Cycloalkylmethyl Radicals. Part 8. A Conformational Study of Dioxa- and Dithia-cyclohexylmethyl Radicals by EPR Spectroscopy
MacCorquodale, Finlay,Walton, John C.,Hughes, Lise,Ingold, Keith U.
, p. 1893 - 1900 (2007/10/02)
The conformations of some six-membered oxygen- and sulphur-containing heterocyclic rings have been investigated by EPR spectroscopy using the methylenyl group, CH2., directly attached to a ring carbon atom as a 'spin probe'.For the 2-oxacyclohexylmethyl radical the CH2. group has a 'conformational free energy' preference for the equatorial position, -ΔG0273 = 1.4 kcal mol-1, which is about twice as large as the 0.7 kcal mol-1 found previously for cyclohexylmethyl.The equatorial preference of the CH2. group is still greater in (1,3-dioxan-2-yl)methylradicals; indeed, even with the cis-(5-tert-butyl-1,3-dioxan-2-yl)methyl radical the CH2. group was equatorial and the tert-butyl group axial.The CH2. group in (1,3-dioxan-5-yl)methyl also exhibits a strong preference for the equatorial position (ΔG0 > ca. 1.5 kcal mol-1), but with cis-(2-methyl-1,3-dioxan-5-yl)methyl it is the methyl group which is equatorial and the CH2. group axial.These and other axial/equatorial conformational preferences and the rotational conformational preference of the plane of the CH2. group with respect to the Cβ-Hβ bond are rationalized in terms of subtle steric factors which involve 1,3-axial/axial interactions, or lack thereof, and the variation in the lengths of C-C, C-O and C-S bonds.
