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879-72-1

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879-72-1 Usage

Chemical Properties

white crystalline powder

Check Digit Verification of cas no

The CAS Registry Mumber 879-72-1 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 8,7 and 9 respectively; the second part has 2 digits, 7 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 879-72:
(5*8)+(4*7)+(3*9)+(2*7)+(1*2)=111
111 % 10 = 1
So 879-72-1 is a valid CAS Registry Number.
InChI:InChI=1/C11H15NO/c1-12(2)9-8-11(13)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3/p+1

879-72-1SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 12, 2017

Revision Date: Aug 12, 2017

1.Identification

1.1 GHS Product identifier

Product name 3-Dimethylaminopropiophenone hydrochloride

1.2 Other means of identification

Product number -
Other names 1-Propanone, 3-(dimethylamino)-1-phenyl-, hydrochloride

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:879-72-1 SDS

879-72-1Relevant articles and documents

Platinum and palladium complexes of tridentate ?C^N^N (phen-ide)-pyridine-thiazol ligands – A case study involving spectroelectrochemistry, photoluminescence spectroscopy and TD-DFT calculations

Krause, Maren,von der Stück, René,Brünink, Dana,Buss, Stefan,Doltsinis, Nikos L.,Strassert, Cristian A.,Klein, Axel

supporting information, (2021/01/25)

Four Pd(II) and Pt(II) complexes [M(C^N^N)Cl] (HC^N^N = 2-(6-phenylpyridin-2-yl)thiazoles) were synthesised, analysed and characterised using 1H NMR and MS in solution, as well as single crystal XRD in the solid. Cyclic voltammetry of the square planar complexes showed reversible or partially reversible reductions and irreversible oxidations. DFT calculations allowed assigning them to essentially metal-centred oxidations and ligand-centred reductions. Absorption spectra of the complexes show intense absorption bands into π-π* states in the UV to visible spectral range and long-wavelength bands which were assigned to transitions into mixed metal-to-ligand charge transfer (MLCT)/π-π* states, based on TD-DFT calculations. Comparison of Pt and Pd derivatives showed that the energy of the (MLCT)/π-π* bands are increased for Pd over Pt. This was also observed for the phosphorescence at 77 K and is attributed to the higher oxidation potential for Pd and supported by spectroelectrochemical measurements. The photoluminescence quantum yield (ΦL) drops drastically from Pt to Pd at room temperature, where only the two Pt(II) complexes are luminescent showing a broad unstructured phosphorescence from a 3MLCT state. At 77 K, the phosphorescence is blue-shifted and shows a clear vibrational progression, which is related to an enhanced ligand-centred character due to the lack of solvent stabilisation in the frozen matrix that otherwise increases the MLCT contribution. The Pd(II) complexes are not emissive at 298 K, but luminesce at 77 K. This is due to metal-centred dissociative d-d* states that facilitate radiationless deactivation, which cannot be thermally populated at low temperatures. Thus, similar ΦL are observed in frozen glassy matrices for both metals. TD-DFT calculations provided insight into the excited states and showed that the substitution pattern does not affect the emission, due to the lack of participation of the phenyl unit in the orbitals that are relevant for the description of the emissive state.

1,2,4-Triazolo[1,5-a]pyrimidines: Efficient one-step synthesis and functionalization as influenza polymerase PA-PB1 interaction disruptors

Pismataro, Maria Chiara,Felicetti, Tommaso,Bertagnin, Chiara,Nizi, Maria Giulia,Bonomini, Anna,Barreca, Maria Letizia,Cecchetti, Violetta,Jochmans, Dirk,De Jonghe, Steven,Neyts, Johan,Loregian, Arianna,Tabarrini, Oriana,Massari, Serena

, (2021/05/06)

In the search for new anti-influenza virus (IV) compounds, we have identified the 1,2,4-triazolo[1,5-a]pyrimidine (TZP) as a very suitable scaffold to obtain compounds able to disrupt IV RNA-dependent RNA polymerase (RdRP) PA-PB1 subunits heterodimerization. In this work, in order to acquire further SAR insights for this class of compounds and identify more potent derivatives, we designed and synthesized additional series of analogues to investigate the role of the substituents around the TZP core. To this aim, we developed four facile and efficient one-step procedures for the synthesis of 5-phenyl-, 6-phenyl- and 7-phenyl-2-amino-[1,2,4]triazolo[1,5-a]pyrimidines, and 2-amino-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-ol. Two analogues having the ethyl carboxylate moiety at the C-2 position of the TZP were also prepared in good yields. Then, the scaffolds herein synthesized and two previous scaffolds were functionalized and evaluated for their anti-IAV activity, leading to the identification of compound 22 that showed both anti-PA-PB1 (IC50 = 19.5 μM) and anti-IAV activity (EC50 = 16 μM) at non-toxic concentrations, thus resulting among the most active TZP derivatives reported to date by us. A selection of the synthesized compounds, along with a set of in-house available analogues, was also tested against SARS-CoV-2. The most promising compound 49 from this series displayed an EC50 value of 34.47 μM, highlighting the potential of the TPZ scaffold in the search for anti-CoV agents.

Stereoselective Construction of γ-Lactams via Copper-Catalyzed Borylacylation

Bajohr, Jonathan,Lautens, Mark,Polishchuk, Iuliia,Torelli, Alexa,Whyte, Andrew

supporting information, p. 7915 - 7919 (2020/11/02)

A versatile and highly stereoselective borylative cyclization to generate polyfunctionalized γ-lactams has been developed. The stereoselective synthesis of these key ring systems is crucial due to their ubiquity in natural products. We report the diastero- and enantioselective construction of di- and trisubstituted γ-lactam cores, with examples containing an enantioenriched quaternary carbon.

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