66546-90-5

Basic information

• Product Name: ethyl 2-cyano-2-propylvalerate
• Synonyms: ethyl 2-cyano-2-propylvalerate;2-Cyano-2-propylpentanoic acid ethyl ester;Einecs 266-402-5;Ethyl 2-cyano-2-propylpentanoate
• CAS NO: 66546-90-5
• Molecular Formula: C₁₁H₁₉NO₂
• Molecular Weight: 197.27406
• EINECS: 266-402-5
• Mol File: 66546-90-5.mol

Chemical Properties

• Boiling Point: 236.3°Cat760mmHg
• Flash Point: 102.5°C
• Appearance: /
• Density: 0.952g/cm³
• Vapor Pressure: 0.0477mmHg at 25°C
• Refractive Index: 1.44
• CAS DataBase Reference: ethyl 2-cyano-2-propylvalerate(CAS DataBase Reference)
• NIST Chemistry Reference: ethyl 2-cyano-2-propylvalerate(66546-90-5)
• EPA Substance Registry System: ethyl 2-cyano-2-propylvalerate(66546-90-5)

Safety Data

• Hazardous Substances Data: 66546-90-5(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Industry:
Ethyl 2-cyano-2-propylvalerate is used as an antiepileptic medication for the treatment of various types of seizures. Its mechanism of action involves increasing GABA levels in the brain, which helps in controlling abnormal electrical activity and reducing the frequency and severity of seizures.
Used in Neurology:
In the field of neurology, ethyl 2-cyano-2-propylvalerate is being explored for its potential therapeutic effects on mood disorders. The modulation of neurotransmitters by this compound may offer benefits in managing conditions such as bipolar disorder and depression, although more research is needed to confirm its efficacy and safety in these applications.
Used in Inflammation Management:
Ethyl 2-cyano-2-propylvalerate is also being studied for its anti-inflammatory properties. It may be used as an adjunct therapy in conditions where inflammation plays a significant role, potentially offering a dual approach of managing both neurological symptoms and inflammatory processes.

InChI:InChI=1/C11H19NO2/c1-4-7-11(9-12,8-5-2)10(13)14-6-3/h4-8H2,1-3H3

Upstream product

• 141-52-6 sodium ethanolate 
• 107-08-4 1-iodo-propane 
• 105-56-6 ethyl 2-cyanoacetate 
• 71-23-8 propan-1-ol 
• 1972-28-7 diethylazodicarboxylate 
• 540-54-5 1-Chloropropane 

Downstream Products

• 100535-65-7 3-Amino-2.2-dipropyl-propionsaeure-aethylester 
• 87113-20-0 2,2-dipropyl-malonamic acid ethyl ester 
• 87113-24-4 dipropyl-malonic acid monoamide 
• 223763-95-9 (E)-(3S,10R,16S)-10-(3-Chloro-4-methoxy-benzyl)-3-isobutyl-16-((E)-(R)-1-methyl-3-phenyl-allyl)-6,6-dipropyl-1,4-dioxa-8,11-diaza-cyclohexadec-13-ene-2,5,9,12-tetraone 
• 223764-00-9 (E)-(3S,10R,16S)-16-((1R,2R,3S)-3-Chloro-2-hydroxy-1-methyl-3-phenyl-propyl)-10-(3-chloro-4-methoxy-benzyl)-3-isobutyl-6,6-dipropyl-1,4-dioxa-8,11-diaza-cyclohexadec-13-ene-2,5,9,12-tetraone 
• 98957-07-4 3-Amino-2,2-dipropyl-propionsaeure 
• 13310-75-3 di-N-propyl acetonitrile 
• 85508-57-2 5-(heptan-4-yl)-1H-tetrazole 

Relevant articles and documents

Synthesis of new N-glycosides based on Valproic acid analogs tetrazole derivatives

New N-glycosides based on valproic acid analogs tetrazole derivatives were synthesized. The bis-tetrazole derived from 1,6-hexandiol was also connected to acetylated glucose and formed bis-N-glycoside. Structures characterizations have been performed using FT IR, 1H and 13C NMR spectroscopy.

Synthesis of variously 9,9-dialkylated octahydropyrimido [3,4-a]-s-triazines with potential antifungal activity

9,9-Dialkyloctahydropyrimido[3,4-a]-s-triazines were synthesized by iminodimethylation reaction between a 5,5-dialkyl-6-aminopyrimidine-2,4(3H,5H)-dione, a substituted aniline and two moles of formaldehyde. The synthesis of 5,5-dialkyl-6-aminopyrimidinedione consisted of the condensation of urea with ethyl 2,2-dialkylcyanoacetates. 18 Octahydropyrimido[3,4-a]-s-triazines were synthesized and compounds resulting from a supplementary aminomethylation were also obtained. Most of these compounds were tested for antifungal activity in vitro. Only 9,9-dibutyl-6,8-dioxo-3(2-chlorophenyl)2,3,4,5,6,7,8,9-octahydropyrimido[3, 4-a]-s-triazine showed some activity against Microsporum canis.

Synthesis and biological evaluation of cryptophycin analogs with substitution at C-6 (fragment C region)

Analogs of the antitumor agents cryptophycins 1 and 8 with dialkyl substitution at C-6 (fragment C) were synthesized and evaluated for in vitro cytotoxicity against human leukemia cells (CCRF-CEM). The activity of these analogs decreased as the size of the substituents at C-6 increased. The C-6 spirocylopropyl compound (2g) was highly potent in vitro and showed excellent antitumor activity in animal models.

Stereospecific and Stereoselective Reactions. V. Alkylation of Active Methylene Compounds by the Use of Alcohols, Diethyl Azodicarboxylate, and Triphenylphosphine

The reagent formed by the reaction of diethyl azodicarboxylate (1) and triphenylphosphine (2) reacted with alcohols and ethyl cyanoacetate (6) to give alkylated products in 30 - 80percent yields.When ethyl acetoacetate, 1,3-1,3-coclopentanedione, or 1,3-cyclohexanedione was used in place of 6, the corresponding O-alkylated products were obtained.The reaction of either (S)-(-)-ethyl lactate or (S)-(-)-ethyl 2-hydroxy-3-phenylpropionate with 1, 2, and 6, followed by hydrolysis resulted in the formation of (S)-(-)-methylsuccinic acid or (S)-(-)-benzylsuccinic acid.The results indicate that nearly complete inversion of the configuration takes place in the alkylation step.