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Benzeneacetaldehyde, a-[(dimethylamino)methylene]-, also known as 2,2-dimethyl-1-(phenylmethylene)hydrazine, is an aromatic aldehyde derivative with the molecular formula C10H13NO. It features a dimethylamino group attached to a methylene carbon atom, which contributes to its unique chemical properties and reactivity. Benzeneacetaldehyde, a-[(dimethylamino)methylene]is widely used as an intermediate in the synthesis of various organic compounds and pharmaceuticals, as well as a reagent in chemical reactions, particularly in the formation of imines and other nitrogen-containing compounds.

15131-89-2

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15131-89-2 Usage

Uses

Used in Organic Chemistry:
Benzeneacetaldehyde, a-[(dimethylamino)methylene]is used as an intermediate in the synthesis of various organic compounds. Its unique structure allows for versatile chemical reactions, making it a valuable component in the preparation of complex organic molecules.
Used in Pharmaceutical Industry:
In the pharmaceutical industry, Benzeneacetaldehyde, a-[(dimethylamino)methylene]is used as a key intermediate in the production of various drugs. Its ability to form imines and other nitrogen-containing compounds makes it an essential building block for the development of new pharmaceutical agents.
Used in Chemical Reactions:
Benzeneacetaldehyde, a-[(dimethylamino)methylene]is used as a reagent in chemical reactions, particularly in the formation of imines. Imines are important intermediates in organic synthesis and can be further transformed into a variety of nitrogen-containing compounds, such as amines, amides, and nitriles.
Used in Drug Development:
In drug development, Benzeneacetaldehyde, a-[(dimethylamino)methylene]plays a crucial role in the synthesis of potential drug candidates. Its unique chemical properties enable the creation of novel molecular structures with potential therapeutic applications, contributing to the discovery of new medicines for various diseases and conditions.

Check Digit Verification of cas no

The CAS Registry Mumber 15131-89-2 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 1,5,1,3 and 1 respectively; the second part has 2 digits, 8 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 15131-89:
(7*1)+(6*5)+(5*1)+(4*3)+(3*1)+(2*8)+(1*9)=82
82 % 10 = 2
So 15131-89-2 is a valid CAS Registry Number.
InChI:InChI=1/C11H13NO/c1-12(2)8-11(9-13)10-6-4-3-5-7-10/h3-9H,1-2H3/b11-8+

15131-89-2SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name (Z)-3-(dimethylamino)-2-phenylprop-2-enal

1.2 Other means of identification

Product number -
Other names 3-(Dimethylamino)-2-phenylacrolein

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:15131-89-2 SDS

15131-89-2Relevant academic research and scientific papers

Azole-Based Indoleamine 2,3-Dioxygenase 1 (IDO1) Inhibitors

R?hrig, Ute F.,Majjigapu, Somi Reddy,Reynaud, Aline,Pojer, Florence,Dilek, Nahzli,Reichenbach, Patrick,Ascencao, Kelly,Irving, Melita,Coukos, George,Vogel, Pierre,Michielin, Olivier,Zoete, Vincent

, p. 2205 - 2227 (2021/03/01)

The heme enzyme indoleamine 2,3-dioxygenase 1 (IDO1) plays an essential role in immunity, neuronal function, and aging through catalysis of the rate-limiting step in the kynurenine pathway of tryptophan metabolism. Many IDO1 inhibitors with different chemotypes have been developed, mainly targeted for use in anti-cancer immunotherapy. Lead optimization of direct heme iron-binding inhibitors has proven difficult due to the remarkable selectivity and sensitivity of the heme-ligand interactions. Here, we present experimental data for a set of closely related small azole compounds with more than 4 orders of magnitude differences in their inhibitory activities, ranging from millimolar to nanomolar levels. We investigate and rationalize their activities based on structural data, molecular dynamics simulations, and density functional theory calculations. Our results not only expand the presently known four confirmed chemotypes of sub-micromolar heme binding IDO1 inhibitors by two additional scaffolds but also provide a model to predict the activities of novel scaffolds.

Aminoisoxazoles as Potent Inhibitors of Tryptophan 2,3-Dioxygenase 2 (TDO2)

Pei, Zhonghua,Mendonca, Rohan,Gazzard, Lewis,Pastor, Richard,Goon, Leanne,Gustafson, Amy,Vanderporten, Erica,Hatzivassiliou, Georgia,Dement, Kevin,Cass, Robert,Yuen, Po-Wai,Zhang, Yamin,Wu, Guosheng,Lin, Xingyu,Liu, Yichin,Sellers, Benjamin D.

supporting information, p. 417 - 421 (2018/05/23)

Tryptophan 2,3-dioxygenase 2 (TDO2) catalyzes the conversion of tryptophan to the immunosuppressive metabolite kynurenine. TDO2 overexpression has been observed in a number of cancers; therefore, TDO inhibition may be a useful therapeutic intervention for

Design, synthesis, and antifungal activity of inhibitors of brassilexin detoxification in the plant pathogenic fungus Leptosphaeria maculans

Pedras, M. Soledade C.,Suchy, Mojmir

, p. 714 - 723 (2007/10/03)

Potential inhibitors of Leptosphaeria maculans mediated detoxification of the phytoalexin brassilexin were designed and synthesized based on the planar heteroaromatic structure of isothiazolo[5,4-b]indole. Screening of these compounds for inhibition of br

A SYNTHESIS OF WITHASOMNINE FROM 4-PHENYLPYRAZOLE

Takano, Seiichi,Imamura, Yoko,Ogasawara, Kunio

, p. 1223 - 1225 (2007/10/02)

Withasomnine (5), a pyrazole alkaloid isolated from Withania somnifera Dun.(Solanaceae), has been synthesized from 4-phenylpyrazole(1), a compound with potential symmetry.

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