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54049-93-3

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54049-93-3 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 54049-93-3 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 5,4,0,4 and 9 respectively; the second part has 2 digits, 9 and 3 respectively.
Calculate Digit Verification of CAS Registry Number 54049-93:
(7*5)+(6*4)+(5*0)+(4*4)+(3*9)+(2*9)+(1*3)=123
123 % 10 = 3
So 54049-93-3 is a valid CAS Registry Number.

54049-93-3SDS

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-(diethoxyphosphorylmethyl)benzonitrile

1.2 Other means of identification

Product number -
Other names 3-(diethylphosphonomethyl)benzonitrile

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:54049-93-3 SDS

54049-93-3Relevant academic research and scientific papers

A new insight into the push-pull effect of substituents via the stilbene-like model compounds

Cao, Chaotun,Zeng, Zhao,Cao, Chenzhong

, (2022/02/01)

In this paper, authors report on 1-pyridyl-2-arylethenes, 1-furyl-2-arylethylenes, 1,2-diphenylpropylenes and substituted cinnamyl anilines as stilbene-like model compounds to investigate the factors dominating the push-pull effect of substituents via usi

Determination and application of the excited-state substituent constants of pyridyl and substituted phenyl groups

Cao, Chao-Tun,Yan, Lu,Cao, Chenzhong

, (2021/05/21)

Thirty six 1-pyridyl-2-arylethenes XCH=CHArY (abbreviated XAEY) were synthesized, in which, X is 2-pyridyl, 3-pyridyl and 4-pyridyl and Y is OMe, Me, H, Br, Cl, F, CF3, and CN. Their ultraviolet absorption spectra were measured in anhydrous ethanol, and their wavelengths of absorption maximum λmax were recorded. Also, the 234 λmax values of 1-substituted phenyl-2-arylethylene compounds (XAEY, where X is substituted phenyl) were collected. The excited-state substituent constants (Formula presented.) of three pyridyl groups and 23 substituted phenyl groups (total of 26) were obtained by means of curve-fitting method. Taking the λmax values of 358 samples of bi-arylethene derivatives as a data set and 126 samples of bi-aryl Schiff bases (including nine compounds synthesized by this work) as another data set, quantitative correlation analyses were performed by employing the obtained (Formula presented.) as a parameter, and good results were obtained for the two data sets. The reliability of the obtained (Formula presented.) values was verified. The results of this paper can provide excited-state substituent constants for the study and application of optical properties of conjugated organic compounds containing aryl groups.

Tunable photophysical properties of thiophene based chromophores: A conjoined experimental and theoretical investigation

Popczyk, Anna,Cheret, Yohan,Grabarz, Anna,Hanczyc, Piotr,Fita, Piotr,El-Ghayoury, Abdelkrim,Sznitko, Lech,Mysliwiec, Jaroslaw,Sahraoui, Bouchta

supporting information, p. 6728 - 6736 (2019/05/04)

In this paper we report the synthesis and photophysical properties of six novel thiophene derivatives (ThD) with D-π-A structure. The subject of this work is three nitrophenyls (1) BT-Th-NO2 and three benzonitriles (2) BT-Th-CN, substituted at

OXAZOLIDINONES AS MODULATORS OF MGLUR5

-

Page/Page column 36, (2015/04/28)

The disclosure generally relates to compounds of formula I, including their salts, as well as compositions and methods of using the compounds. The compounds are ligands, agonists and partial agonists for the mGluR5 receptor and may be useful for the treatment of various disorders of the central nervous system.

NITROGENOUS HETEROCYCLIC DERIVATIVES AND THEIR APPLICATION IN DRUGS

-

Paragraph 00184, (2015/07/07)

The present invention relates to the field of medicine, provided herein are novel nitrogenous heterocyclic compounds, their preparation methods and their uses as drugs, especially for treatment and prevention of tissue fibrosis. Also provided herein are pharmaceutically acceptable compositions comprising the nitrogenous heterocyclic compounds and the uses of the compositions in the treatment of human or animal tissue fibrosis, especially for human or animal renal interstitial fibrosis, glomerular sclerosis, liver fibrosis, pulmonary fibrosis, IPF, peritoneal fibrosis, myocardial fibrosis, dermatofibrosis, postsurgical adhesion, benign prostatic hyperplasia, skeletal muscle fibrosis, scleroderma, multiple sclerosis, pancreatic fibrosis, cirrhosis, myosarcoma, neurofibroma, pulmonary interstitial fibrosis, diabetic nephropathy, alzheimer disease or vascular fibrosis.

Ligustrazine Derivatives. Part 4: Design, Synthesis, and Biological Evaluation of Novel Ligustrazine-based Stilbene Derivatives as Potential Cardiovascular Agents

Deng, Lijuan,Guo, Xiuli,Zhai, Li,Song, Yuning,Chen, Hongfei,Zhan, Peng,Wu, Jingde,Liu, Xinyong

experimental part, p. 731 - 739 (2012/05/20)

A series of novel stilbene derivatives containing ligustrazinyl moiety was designed, synthesized, and assayed for their protective effects on damaged endothelial cells. The results showed that most ligustrazinyl stilbene derivatives exhibited high protective effects on the human umbilical vascular endothelial cells (HUVECs) damaged by hydrogen peroxide in comparison with Ligustrazine. The stilbene derivatives A6, A9, A11, A21, A24, A25, and A27 exhibited high potency with low EC50 values ranged from 0.0249μm to 0.0898mm. Compound A27 displayed EC50 0.0249μm, which is 30000 times higher than that of Ligustrazine, presenting a most promising lead for further investigation. Structure-activity relationships were briefly discussed.

Discovery of a piperidine-4-carboxamide CCR5 antagonist (TAK-220) with highly potent anti-HIV-1 activity

Imamura, Shinichi,Ichikawa, Takashi,Nishikawa, Youichi,Kanzaki, Naoyuki,Takashima, Katsunori,Niwa, Shinichi,Iizawa, Yuji,Baba, Masanori,Sugihara, Yoshihiro

, p. 2784 - 2793 (2007/10/03)

We incorporated various polar groups into previously described piperidine-4-carboxamide CCR5 antagonists to improve their metabolic stability in human hepatic microsomes. Introducing a carbamoyl group into the phenyl ring of the 4-benzylpiperidine moiety

Novel oxa-di-π-methane and Norrish type I reactions in the S2 (π,π*) excited state of a series of β,γ-unsaturated ketones

Armesto, Diego,Ortiz, Maria J.,Agarrabeitia, Antonia R.,Martin-Fontecha, Mar

, p. 2687 - 2690 (2007/10/03)

(Chemical Equation Presented) β,γ-Unsaturated methyl ketones with electron-withdrawing groups at the γ-position of the ene moiety undergo ODPM rearrangements and Norrish type I reactions on direct irradiation at 254 nm. The results are consistent with the

Synthesis, structure and solvatochromism of the emission of cyano-substituted oligo(phenylenevinylene)s

Detert, Heiner,Schollmeyer, Dieter,Sugiono, Erli

, p. 2927 - 2938 (2007/10/03)

Strongly luminescent and highly soluble oligo(phenylenevinylene)s with five benzene rings and cyano groups in different positions of the terminal styrene units were prepared by means of Horner and Knoevenagel reactions. The substitution pattern - cyanide moieties on the vinyl or on the aromatic regions, together with the effect of auxochromic groups - has distinct influences on the electronic spectra, particularly on the fluorescence. Polar solvents induce red shifts and strongly reduce the fluorescence intensity of the vinyl-substituted oligomers. Cyano substitution increases the electron affinity of the oligomers; this effect is more pronounced for molecules with vinyl cyanides and can be altered by the presence of additional electron-donating or electron-withdrawing groups. The molecular structures of one oligomer bearing cyano groups on the vinylene segments and one with benzonitrile units have been resolved.

Synthesis and electronic spectra of substituted oligo(phenylenevinylene)s

Detert, Heiner,Sugiono, Erli

, p. 587 - 590 (2007/10/03)

A series of substituted oligo(p-phenylenevinylene)s (OPVs) with five benzene rings was prepared via PO-activated olefinations and Knoevenagel condensations. The central ring is substituted with two octyloxy groups to ensure good solubility of the OPVs and the lateral styrene units carry further substituents, with either electron-accepting or donating character and also combinations thereof. The spectral features of these OPVs are dominated by the basic chromophore; further auxochrome groups on the lateral rings (meta and para positions) shift the absorption and emission spectra only slightly to longer wavelengths. Significant bathochromic shifts (absorption ca 20 nm, emission ca 40 nm) are observed for OPVs with cyano groups on the terminal vinylene segments. The absorption spectra are independent from the concentration and solvatochromism is very small. The OPVs are photochemically stable to near-UV irradiation (366 nm) in neutral solution, whereas mid-UV irradiation (254 nm) causes decomposition of the chromophore. The presence of traces of acids or amines leads to different photochemical pathways. Copyright

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