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Benzonitrile, 3-(3-oxopropyl)-, also known as 3-(3-oxopropyl)benzonitrile or 3-(3-oxopropyl)benzonitrile-1-carbaldehyde, is a chemical compound with the molecular formula C11H9NO. It is a colorless to light yellow liquid characterized by a strong, aromatic odor. Benzonitrile, 3-(3-oxopropyl)is primarily utilized as an intermediate in the synthesis of pharmaceuticals and other organic compounds, highlighting its versatility in chemical processes.

111376-39-7

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111376-39-7 Usage

Uses

Used in Pharmaceutical Industry:
Benzonitrile, 3-(3-oxopropyl)is used as a key intermediate in the synthesis of various pharmaceuticals. Its unique structure allows it to be a building block for the development of new drugs, contributing to the advancement of medicinal chemistry.
Used as a Flavoring Agent in the Food Industry:
In the food industry, Benzonitrile, 3-(3-oxopropyl)is employed as a flavoring agent. Its aromatic properties make it suitable for enhancing the taste and aroma of various food products, adding depth and complexity to their flavor profiles.
Used in Pesticide Production:
Benzonitrile, 3-(3-oxopropyl)has potential applications in the production of pesticides. Its chemical properties can be harnessed to create effective compounds for controlling pests in agriculture, thereby contributing to crop protection and food security.
Used in Dye Production:
Benzonitrile, 3-(3-oxopropyl)also finds use in the production of dyes. Its chemical structure can be manipulated to create a range of colors, making it a valuable component in the dye manufacturing process.
Safety Precautions:
It is important to handle Benzonitrile, 3-(3-oxopropyl)with care, as it can be harmful if ingested or inhaled and can cause skin and eye irritation. Proper safety measures should be taken during its production, use, and disposal to minimize potential health risks.

Check Digit Verification of cas no

The CAS Registry Mumber 111376-39-7 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,1,1,3,7 and 6 respectively; the second part has 2 digits, 3 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 111376-39:
(8*1)+(7*1)+(6*1)+(5*3)+(4*7)+(3*6)+(2*3)+(1*9)=97
97 % 10 = 7
So 111376-39-7 is a valid CAS Registry Number.
InChI:InChI=1/C10H9NO/c11-8-10-4-1-3-9(7-10)5-2-6-12/h1,3-4,6-7H,2,5H2

111376-39-7SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name 3-(3-Oxopropyl)benzonitrile

1.2 Other means of identification

Product number -
Other names -

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:111376-39-7 SDS

111376-39-7Downstream Products

111376-39-7Relevant academic research and scientific papers

Novel Propargyl-Linked Bisubstrate Analogues as Tight-Binding Inhibitors for Nicotinamide N-Methyltransferase

Chen, Dongxing,Li, Linjie,Diaz, Krystal,Iyamu, Iredia D.,Yadav, Ravi,Noinaj, Nicholas,Huang, Rong

, p. 10783 - 10797 (2019/12/25)

Nicotinamide N-methyltransferase (NNMT) catalyzes the methyl transfer from the cofactor S-adenosylmethionine to nicotinamide and other pyridine-containing compounds. NNMT is an important regulator for nicotinamide metabolism and methylation potential. Aberrant expression levels of NNMT have been implicated in cancer, metabolic, and neurodegenerative diseases, which makes NNMT a potential therapeutic target. Therefore, potent and selective NNMT inhibitors can serve as valuable tools to investigate the roles of NNMT in its mediated diseases. Here, we applied a rational strategy to design and synthesize the tight-binding bisubstrate inhibitor LL320 through a novel propargyl linker. LL320 demonstrates a Ki value of 1.6 ± 0.3 nM, which is the most potent inhibitor to date. The cocrystal structure of LL320 confirms its interaction with both the substrate and cofactor binding sites on NNMT. Importantly, this is the first example of using the propargyl linker to construct potent methyltransferase inhibitors, which will expand our understanding of the transition state of methyl transfer.

Chemo- and Regioselective Organo-Photoredox Catalyzed Hydroformylation of Styrenes via a Radical Pathway

Huang, He,Yu, Chenguang,Zhang, Yueteng,Zhang, Yongqiang,Mariano, Patrick S.,Wang, Wei

supporting information, p. 9799 - 9802 (2017/08/02)

An unprecedented, chemo- and regioselective, organo-photoredox catalyzed hydroformylation reaction of aryl olefins with diethoxyacetic acid as the formylation reagent is described. In contrast to traditional transition metal promoted ionic hydroformylation reactions, the new process follows a unique photoredox promoted, free radical pathway. In this process, a formyl radical equivalent, produced from diethoxacetic acid through a dye (4CzIPN) photocatalyzed, sequential oxidation-decarboxylation route, regio- and chemoselectively adds to a styrene substrate. Importantly, under the optimized reaction conditions the benzylic radical formed in this manner is reduced by SET from the anion radical of 4CzIPN to generate a benzylic anion. Finally, protonation produces the hydroformylation product. By using the new protocol, aldehydes can be generated regioselectively in up to 90% yield. A broad array of functional groups is tolerated in the process, which takes place under mild, metal-free conditions.

COMPOUNDS AND METHODS for the inhibition of HDAC

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Paragraph 0698-0699, (2015/11/24)

Disclosed are compounds having the formula: wherein X1, X2, X3, R1, R2, R3, R4, Y, A, Z, L and n are as defined herein, and methods of making and using the same.

Double arylation of allyl alcohol via a one-pot heck arylation- isomerization-acylation cascade

Colbon, Paul,Ruan, Jiwu,Purdie, Mark,Mulholland, Keith,Xiao, Jianliang

supporting information; experimental part, p. 5456 - 5459 (2011/12/05)

A one-pot, two-step catalytic protocol has been developed. A regioselective Heck coupling between aryl bromides and allyl alcohol leads to the generation of arylated allyl alcohols that in situ isomerize to give aldehydes, which then undergo an acylation reaction with a second aryl bromide. A variety of aryl bromides can be employed in both the initial Heck reaction and the acylation, providing easy access to a wide variety of substituted dihydrochalcones.

7-PHENYL-ISOQUINOLINE-5-SULFONYLAMINO DERIVATIVES AS INHIBITORS OF AKT (PROTEINKINASE B)

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Page/Page column 28, (2010/02/12)

The present invention relates to compounds Formula (I) as inhibitors of AKT activity, which are useful for the treatment of susceptible neoplasms and viral infections.

Organic compounds and their pharmaceutical use

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, (2008/06/13)

There are provided anti-allergic pharmaceutical compounds of formula: STR1 in which n is 0, 1 or 2; R1 is a hydrocarbyl group containing 6 to 30 carbon atoms and optionally substituted with an optionally substituted phenyl group; R2

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