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3-(Dimethylamino)-1-(5-methylthiophen-2-yl)prop-2-en-1-one is a chemical compound with the molecular formula C12H13NO2S. It is an organic molecule characterized by a 2-en-1-one functional group, which consists of a carbonyl group (C=O) and a double bond between the carbonyl carbon and another carbon. The compound features a dimethylamino group (-N(CH3)2) attached to the third carbon, and a 5-methylthiophen-2-yl group, which is a thiophene ring with a methyl group at the fifth position and a sulfur atom at the second position. This molecule is known for its potential applications in the synthesis of various pharmaceuticals and agrochemicals due to its unique structure and reactivity.

90815-53-5

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90815-53-5 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 90815-53-5 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 9,0,8,1 and 5 respectively; the second part has 2 digits, 5 and 3 respectively.
Calculate Digit Verification of CAS Registry Number 90815-53:
(7*9)+(6*0)+(5*8)+(4*1)+(3*5)+(2*5)+(1*3)=135
135 % 10 = 5
So 90815-53-5 is a valid CAS Registry Number.

90815-53-5SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 15, 2017

Revision Date: Aug 15, 2017

1.Identification

1.1 GHS Product identifier

Product name (E)-3-(dimethylamino)-1-(5-methylthiophen-2-yl)prop-2-en-1-one

1.2 Other means of identification

Product number -
Other names 3-(DIMETHYLAMINO)-1-(5-METHYLTHIOPHEN-2-YL)PROP-2-EN-1-ONE

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:90815-53-5 SDS

90815-53-5Relevant academic research and scientific papers

Synthesis of bis-and tetrakis-(ω-dimethylamino)-substituted cross-conjugated polyene α-diketones of the thiophene series

Krasnaya,Smirnova,Tatikolov,Kolotaev

, p. 735 - 740 (2006)

Bis-and tetrakis(ω-dimethylamino)-substituted cross-conjugated polyene α-diketones, containing two thiophene rings, were synthesized from α-diketones of the thiophene series and β-dimethylaminoacrolein aminals and also 2-aza-3-dimethylaminoacrolein acetal.

Experimental and theoretical investigation of new furan and thiophene derivatives containing oxazole, isoxazole, or isothiazole subunits

Civcir, Pervin ünal,Kurtay, Gülbin,Sar?kavak, Kübra

, p. 773 - 790 (2017/05/10)

Herein, we present joint experimental and theoretical studies on newly designed thiophene- or furan-based oxazole, isoxazole, and isothiazole derivatives. Our synthetic approach towards the preparation of target compounds is based on Van Leusen reaction. By following this reaction, oxazoles (1 and 2) containing the pertinent heterocyclic systems were obtained from the reaction of suitable furan or thiophene derivatives with tosylmethyl isocyanide (TOSMIC). Hereby, three ring systems of furan or thiophene, linked to the oxazole rings at their 2- and 5-positions (3 and 4), were also successfully synthesized for the first time. Reaction of the starting materials containing acetyl groups in their 2-position with dimethyl acetal and following the treatment by hydroxylamine hydrochloride, desired isoxazole derivatives (5 and 6), were obtained. Additionally, isothiazole derivatives (7 and 8) were prepared by following the similar approach to the isoxazole synthesis. Whole of these cyclization reactions occurred with good to excellent yields. Structural analyses of the synthesized compounds were performed by appropriate spectroscopic methods (UV-vis, FT-IR, LC-MS, 1H-NMR, 13C-NMR, and elemental analysis). We also carried out theoretical studies for identifying the structure-activity relationship and determining chemical properties of the studied molecules. For this purpose, we obtained information about structural properties (bond lengths, bond angles, dihedral angles, and dipole moments), band gap energies, and spectroscopic characteristics (UV-vis, FT-IR, 1H-NMR, and 13C-NMR) of the target compounds. [Figure not available: see fulltext.].

Pyrazolo[1,5-a]pyrimidin-7-yl phenyl amides as novel antiproliferative agents: Exploration of core and headpiece structure-activity relationships

Powell, Dennis,Gopalsamy, Ariamala,Wang, Yanong D.,Zhang, Nan,Miranda, Miriam,McGinnis, John P.,Rabindran, Sridhar K.

, p. 1641 - 1645 (2007/10/03)

A novel series of antiproliferative agents containing pyrazolo[1,5-a]pyrimidin-7-yl phenyl amides, selective for p21-deficient cells, were identified by high-throughput screening. Exploration of the SAR relationships in the headpiece, core, and tailpiece

4,5,6-substituted-N-(substituted-phenyl)-2-pyrimidinamines

-

, (2008/06/13)

This disclosure describes novel 4,5,6-substituted-N-(substituted-phenyl)-2-pyrimidinamines having anti-asthmatic activity.

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