131724-43-1

Basic information

• Product Name: (S)-2,2-DIMETHYL-1,3-DIOXOLANE-4-ACETONITRILE
• Synonyms: (S)-2,2-DIMETHYL-1,3-DIOXOLANE-4-ACETONITRILE;2,2-DIMETHYL-1,3-DIOXALANE-4(S)-ACETONITRILE;1,3-DIOXOLANE-4-ACETONITRILE, 2,2-DIMETHYL-, (S);(4S)-2 2-DIMETHYL-1 3-DIOXOLANE-4-ACETO&;(4S)-2,2-Dimethyl-1,3-dioxolane-4-acetonitrile
• CAS NO: 131724-43-1
• Molecular Formula: C7H11NO2
• Molecular Weight: 141.17
• Mol File: 131724-43-1.mol

Chemical Properties

• Boiling Point: 229°Cat760mmHg
• Flash Point: 94.8°C
• Appearance: /
• Density: 1.007g/cm³
• Vapor Pressure: 0.0712mmHg at 25°C
• Refractive Index: 1.421
• CAS DataBase Reference: (S)-2,2-DIMETHYL-1,3-DIOXOLANE-4-ACETONITRILE(CAS DataBase Reference)
• NIST Chemistry Reference: (S)-2,2-DIMETHYL-1,3-DIOXOLANE-4-ACETONITRILE(131724-43-1)
• EPA Substance Registry System: (S)-2,2-DIMETHYL-1,3-DIOXOLANE-4-ACETONITRILE(131724-43-1)

Safety Data

• Hazard Codes: Xn
• Statements: 22-36-43
• Safety Statements: 26-36/37
• Hazardous Substances Data: 131724-43-1(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Synthesis:
(S)-2,2-DIMETHYL-1,3-DIOXOLANE-4-ACETONITRILE is used as an intermediate in the pharmaceutical industry for the synthesis of various drugs. Its versatility in acting as a strong polar and nonpolar solvent allows it to facilitate a wide range of chemical reactions necessary for drug development.
Used in Agrochemical Production:
In the agrochemical industry, (S)-2,2-DIMETHYL-1,3-DIOXOLANE-4-ACETONITRILE serves as an intermediate in the production of various agrochemicals. Its properties make it suitable for the synthesis of compounds used in crop protection and other agricultural applications.
Used as a Solvent in Chemical Reactions:
(S)-2,2-DIMETHYL-1,3-DIOXOLANE-4-ACETONITRILE is used as a solvent in a variety of chemical reactions and processes across different industries. Its strong polar and nonpolar properties enable it to dissolve a broad spectrum of substances, making it a valuable asset in numerous chemical processes.
Used for Stability and Low Toxicity:
Due to its stability and low toxicity, (S)-2,2-DIMETHYL-1,3-DIOXOLANE-4-ACETONITRILE is favored in applications where safety and reliability are paramount. This makes it suitable for use in environments where the handling of more toxic or less stable compounds would be undesirable or impractical.

InChI:InChI=1/C7H11NO2/c1-7(2)9-5-6(10-7)3-4-8/h6H,3,5H2,1-2H3/t6-/m0/s1

Upstream product

• 126577-60-4 (3S)-3,4-dihydroxybutyronitrile 
• 77-76-9 2,2-dimethoxy-propane 
• 22323-82-6 (S)-(+)-(2,2-dimethyl-[1,3]dioxolan-4-yl)methanol 
• 76679-39-5 [(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl trifluoromethanesulfonate 

Downstream Products

• 126577-60-4 (3S)-3,4-dihydroxybutyronitrile 

Relevant articles and documents

A Novel Agonist of the Type 1 Lysophosphatidic Acid Receptor (LPA1), UCM-05194, Shows Efficacy in Neuropathic Pain Amelioration

Neuropathic pain (NP) is a complex chronic pain state with a prevalence of almost 10% in the general population. Pharmacological options for NP are limited and weakly effective, so there is a need to develop more efficacious NP attenuating drugs. Activation of the type 1 lysophosphatidic acid (LPA1) receptor is a crucial factor in the initiation of NP. Hence, it is conceivable that a functional antagonism strategy could lead to NP mitigation. Here we describe a new series of LPA1 agonists among which derivative (S)-17 (UCM-05194) stands out as the most potent and selective LPA1 receptor agonist described so far (Emax = 118%, EC50 = 0.24 μM, KD = 19.6 nM; inactive at autotaxin and LPA2-6 receptors). This compound induces characteristic LPA1-mediated cellular effects and prompts the internalization of the receptor leading to its functional inactivation in primary sensory neurons and to an efficacious attenuation of the pain perception in an in vivo model of NP.

Process for the production of 3,5,6-trihydroxyhexanoic acid derivative

A compound of a 3,5,6-trihydroxyhexanoic acid derivative of the formula: STR1 wherein P1 and P2 are independently hydrogen atoms or hydroxy-protecting groups, or together form a ring, and R is an alkyl group is effectively prepared by a process comprising steps of: reacting a butyronitrile derivative of the formula: STR2 wherein P1 and P2 are the same as defined above with an α-haloacetate of the formula: wherein X is a halogen atom, and R is the same as defined above in the presence of a metallic catalyst selected from the group consisting zinc and zinc-copper to form a keto acid derivative of the formula: STR3 wherein P1, P2 and R are the same as defined above, and then reducing the obtained keto-acid derivative of the formula (IV).