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1076-95-5

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1076-95-5 Usage

General Description

2-(4-methoxyphenyl)-2-oxoacetaldehyde is a chemical compound that belongs to the class of organic compounds known as benzaldehydes. These are organic aromatic compounds containing a benzene ring in which at least one carbon atom is substituted with a formyl group. This particular benzaldehyde is distinctive because it also contains a methoxy group, which consists of a methyl group bound to an oxygen atom. It is characterised by its phenyl ring, which has the methoxy group at the 4-position, and the aldehyde group is attached to the carbon atom adjacent to the phenyl ring leading to a carbonyl group. There is limited data on its specific properties and applications, suggesting that this compound is not widely used or studied in the scientific community.

Check Digit Verification of cas no

The CAS Registry Mumber 1076-95-5 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 1,0,7 and 6 respectively; the second part has 2 digits, 9 and 5 respectively.
Calculate Digit Verification of CAS Registry Number 1076-95:
(6*1)+(5*0)+(4*7)+(3*6)+(2*9)+(1*5)=75
75 % 10 = 5
So 1076-95-5 is a valid CAS Registry Number.
InChI:InChI=1/C9H8O3/c1-12-8-4-2-7(3-5-8)9(11)6-10/h2-6H,1H3

1076-95-5SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-(4-methoxyphenyl)-2-oxoacetaldehyde

1.2 Other means of identification

Product number -
Other names p-methoxyphenylglyoxal

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:1076-95-5 SDS

1076-95-5Relevant articles and documents

Characterization and Synthesis of Eudistidine C, a Bioactive Marine Alkaloid with an Intriguing Molecular Scaffold

Chan, Susanna T.S.,Nani, Roger R.,Schauer, Evan A.,Martin, Gary E.,Williamson, R. Thomas,Saurí, Josep,Buevich, Alexei V.,Schafer, Wes A.,Joyce, Leo A.,Goey, Andrew K. L.,Figg, William D.,Ransom, Tanya T.,Henrich, Curtis J.,McKee, Tawnya C.,Moser, Arvin,MacDonald, Scott A.,Khan, Shabana,McMahon, James B.,Schnermann, Martin J.,Gustafson, Kirk R.

, p. 10631 - 10640 (2016)

An extract of Eudistoma sp. provided eudistidine C (1), a heterocyclic alkaloid with a novel molecular framework. Eudistidine C (1) is a racemic natural product composed of a tetracyclic core structure further elaborated with a p-methoxyphenyl group and a phenol-substituted aminoimidazole moiety. This compound presented significant structure elucidation challenges due to the large number of heteroatoms and fully substituted carbons. These issues were mitigated by application of a new NMR pulse sequence (LR-HSQMBC) optimized to detect four- and five-bond heteronuclear correlations and the use of computer-assisted structure elucidation software. Synthesis of eudistidine C (1) was accomplished in high yield by treating eudistidine A (2) with 4(2-amino-1H-imidazol-5-yl)phenol (4) in DMSO. Synthesis of eudistidine C (1) confirmed the proposed structure and provided material for further biological characterization. Treatment of 2 with various nitrogen heterocycles and electron-rich arenes provided a series of analogues (5-10) of eudistidine C. Chiral-phase HPLC resolution of epimeric eudistidine C provided (+)-(R)-eudistidine C (1a) and (-)-(S)-eudistidine C (1b). The absolute configuration of these enantiomers was assigned by ECD analysis. (-)-(S)-Eudistidine C (1b) modestly inhibited interaction between the protein binding domains of HIF-1α and p300. Compounds 1, 2, and 6-10 exhibited significant antimalarial activity against Plasmodium falciparum.

Design and synthesis of coumarin-glyoxal hybrids for spermicidal and antimicrobial actions: A dual approach to contraception

Gupta, Swati,Kushwaha, Bhavana,Srivastava, Akansha,Maikhuri, Jagdamba Prasad,Sankhwar, Satya N.,Gupta, Gopal,Dwivedi, Anil Kumar

, p. 76288 - 76297 (2016)

Today there is an urgent need for safe and effective dual-purpose contraceptive agents, which can simultaneously prevent unintended pregnancies and sexually transmitted infections (STI). There are several naturally occurring antimicrobial and antibiotic drugs (novobiocin, coumermycin and chlorobiocin) reported in the literature, which are based on 4-hydroxy coumarins as the active pharmacophore. Based on these interesting reports, we designed and synthesized a library of new 4-hydroxy coumarin derivatives and evaluated them for spermicidal activity. Among the tested compounds, two compounds (2a and 2d) displayed better activity (greater than 95% sperm immobilization at 0.5 mM concentration) than the positive control nonoxynol-9 (N-9). Furthermore, all the compounds were screened for antimicrobial activity against different strains of Trichomonas vaginalis and two compounds (2c and 2h) exhibited potent activity as compared to the reference drug metronidazole. The cytotoxicity assay showed that most of these compounds were safer than the N-9 against the human cervical HeLa cell line and normal vaginal flora Lactobacillus jensenii strains. The studies have demonstrated that compound (2a) is a potential lead to develop a dually active vaginal contraceptive.

Synthesis of α-keto aldehydes via selective Cu(i)-catalyzed oxidation of α-hydroxy ketones

Zheng, Shasha,Smit, Wietse,Spannenberg, Anke,Tin, Sergey,de Vries, Johannes G.

supporting information, p. 4639 - 4642 (2022/04/19)

An efficient approach to synthesize α-keto aldehydes was established through selective oxidation of α-hydroxy ketones catalyzed by Cu(i) using oxygen as oxidant. A wide array of α-keto aldehydes was prepared with isolated yields of up to 87%. The potential utilization of this reaction was evaluated by gram-scale reactions and synthetic applications.

A novel class for carbonic anhydrases inhibitors and evaluation of their non-zinc binding

Kuzu, Burak,Tan, Meltem,Gül?in, ?lhami,Menges, Nurettin

, (2021/06/09)

In this study, 23 different imidazole derivatives were synthesized, and the inhibitory properties of these derivatives against carbonic anhydrase I and II isoenzymes were investigated for the first time. The inhibition concentrations of the imidazole derivatives were found to be in the range of 2.89–115.5 nM. Docking studies examined the binding properties of the imidazole derivatives, and the structure–activity relationship is discussed. Theoretical calculations showed that the binding mode of the imidazole ring was non-zinc binding.

Catalytic Asymmetric Darzens-Type Epoxidation of Diazoesters: Highly Enantioselective Synthesis of Trisubstituted Epoxides

Jeong, Hye-Min,Nam, Dong Guk,Ryu, Do Hyun,Shim, Su Yong

supporting information, p. 22236 - 22240 (2021/09/13)

Highly enantioselective Darzens-type epoxidation of diazoesters with glyoxal derivatives was accomplished using a chiral boron–Lewis acid catalyst, which facilitated asymmetric synthesis of trisubstituted α,β-epoxy esters. In the presence of a chiral oxazaborolidinium ion catalyst, the reaction proceeded in high yield (up to 99 %) with excellent enantio- and diastereoselectivity (up to >99 % ee and >20:1 dr, respectively). The synthetic potential of this method was illustrated by conversion of the products to various compounds such as epoxy γ-butyrolactone, tertiary β-hydroxy ketone and epoxy diester.

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