96220-14-3

Basic information

• Product Name: 3-(1,3-benzodioxol-5-yl)-3-oxopropanenitrile
• Synonyms: 3-(1,3-benzodioxol-5-yl)-3-oxopropanenitrile;5-(Cyanoacetyl)-1,3-benzodioxole;5-(Cyanoacetyl)-1,3-benzodioxole, 3-(1,3-Benzodioxol-5-yl)-3-oxopropionitrile
• CAS NO: 96220-14-3
• Molecular Formula: C10H7NO3
• Molecular Weight: 189.17
• Mol File: 96220-14-3.mol
• Article Data: 5

Chemical Properties

• Melting Point: 133-135°
• Boiling Point: 409.7°Cat760mmHg
• Flash Point: 179.2°C
• Appearance: /
• Density: 1.331g/cm³
• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.576
• CAS DataBase Reference: 3-(1,3-benzodioxol-5-yl)-3-oxopropanenitrile(CAS DataBase Reference)
• NIST Chemistry Reference: 3-(1,3-benzodioxol-5-yl)-3-oxopropanenitrile(96220-14-3)
• EPA Substance Registry System: 3-(1,3-benzodioxol-5-yl)-3-oxopropanenitrile(96220-14-3)

Safety Data

• HazardClass: IRRITANT
• Hazardous Substances Data: 96220-14-3(Hazardous Substances Data)

Usage

General Description

"3-(1,3-benzodioxol-5-yl)-3-oxopropanenitrile" is a chemical compound with the molecular formula C11H7NO3. It is a nitrile derivative of 3-(1,3-benzodioxol-5-yl)-3-oxopropanoic acid, and it is commonly used in organic synthesis and pharmaceutical research. 3-(1,3-benzodioxol-5-yl)-3-oxopropanenitrile has a benzodioxole ring structure and a nitrile functional group, making it useful for the creation of diverse compounds. Its properties and reactivity make it an important building block for the development of new drugs and agrochemicals. However, it is important to handle this chemical with care, as it can be toxic if ingested or inhaled.

InChI:InChI=1/C10H7NO3/c11-4-3-8(12)7-1-2-9-10(5-7)14-6-13-9/h1-2,5H,3,6H2

Upstream product

• 3162-29-6 1-(benzo[d][1,3]dioxol-6-yl)ethanone 
• 773837-37-9 sodium cyanide 
• 40288-65-1 1-(benzo[1,3]dioxol-5-yl)-2-bromoethanone 
• 326-56-7 methyl 3,4-methylenedioxybenzoate 
• 75-05-8 acetonitrile 
• 6951-08-2 ethyl 1,3-benzodioxole-5-carboxylate 

Relevant articles and documents

Asymmetric Hydroacylation Involving Alkene Isomerization for the Construction of C3-Chirogenic Center

A new transformation pattern for enantioselective intramolecular hydroacylation has been developed involving an alkene isomerization strategy. Proceeding through a five-membered rhodacycle intermediate, 3-enals were converted to C3- or C3,C5-chirogenic cyclopentanones with satisfactory yields, diastereoselectivities, and enantioselectivities. A catalytic cycle has been theoretically calculated and the origin of the stereoselection is rationally explained.

Oxygen-containing heterocyclic substituted azole compound and applications thereof

The invention relates to the field of medicinal chemistry, and discloses an oxygen-containing heterocyclic substituted azole compound and applications thereof, and specifically relates to an oxygen-containing heterocyclic substituted azole compound and a preparation method thereof, a pharmaceutical composition containing the oxygen-containing heterocyclic substituted azole compound, and medical applications of the oxygen-containing heterocyclic substituted azole compound and the pharmaceutical composition, particularly applications as FMS-like tyrosine kinase 3 inhibitors.

THIENOTRIAZOLODIAZEPINE DERIVATIVES ACTIVE ON APO A

The invention relates to new thienotriazolodiazepine derivatives of the formula (1) wherein R1 is CH3, R2 is CH3 or -(CH2)n-R4 or -(CH2)n-O-R4 or -(CH2)n-S-R4 wherein n is 1, 2, 3 or 4 and R4 is CH3, CH2CH3 or CH2CH2OCH3, and R3 is hydrogen or -OCH2O- or -OCH2CH2O- connected to the ortho/meta position or meta/para position of the phenyl ring; or wherein R1 and R2 are hydrogen and R3 is -OCH2O- Or -OCH2CH2O- connected to the ortho/meta position or meta/para position of the phenyl ring; and pharmaceutically acceptable acid addition salts thereof. These compounds and pharmaceutical compositions containing them are useful in the treatment and prevention of atherosclerotic artery diseases, such as myocardial infarction and stroke, and of Alzheimer's disease.