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1-Benzothiophene-5-carbaldehyde is a chemical compound characterized by the molecular formula C9H6OS. It is a yellow to brown liquid with a musty odor. 1-BENZOTHIOPHENE-5-CARBALDEHYDE features a benzene ring fused to a thiophene ring, with a formyl group at the 5-position of the thiophene ring. It is recognized for its potential applications in the production of pharmaceuticals and other organic compounds, as well as its use as a starting material in organic synthesis and a reagent in chemical reactions. Additionally, it has been studied for its potential biological activities, such as antioxidant and antifungal properties.

10133-30-9

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10133-30-9 Usage

Uses

Used in Pharmaceutical Production:
1-Benzothiophene-5-carbaldehyde is used as a key intermediate in the synthesis of various pharmaceuticals. Its unique structure allows for the creation of a wide range of drug molecules, making it a valuable component in the development of new medications.
Used in Organic Synthesis:
As a starting material in organic synthesis, 1-Benzothiophene-5-carbaldehyde is employed for the preparation of a variety of organic compounds. Its reactivity and structural features facilitate the formation of complex molecules, which are essential in the fields of chemistry and materials science.
Used in Chemical Reactions:
1-Benzothiophene-5-carbaldehyde serves as a reagent in various chemical reactions, contributing to the formation of new compounds with desired properties. Its role in these reactions is crucial for advancing the understanding of chemical processes and developing novel applications.
Used in Antioxidant Applications:
1-Benzothiophene-5-carbaldehyde has been studied for its antioxidant properties, which could be harnessed in various industries, such as food preservation and cosmetics, to protect against oxidative damage and extend the shelf life of products.
Used in Antifungal Applications:
1-BENZOTHIOPHENE-5-CARBALDEHYDE's potential antifungal properties make it a candidate for use in agricultural and medical applications, where it could help control fungal infections and protect crops or human health.

Check Digit Verification of cas no

The CAS Registry Mumber 10133-30-9 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 1,0,1,3 and 3 respectively; the second part has 2 digits, 3 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 10133-30:
(7*1)+(6*0)+(5*1)+(4*3)+(3*3)+(2*3)+(1*0)=39
39 % 10 = 9
So 10133-30-9 is a valid CAS Registry Number.
InChI:InChI=1/C9H6OS/c10-6-7-1-2-9-8(5-7)3-4-11-9/h1-6H

10133-30-9SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 16, 2017

Revision Date: Aug 16, 2017

1.Identification

1.1 GHS Product identifier

Product name 1-BENZOTHIOPHENE-5-CARBALDEHYDE

1.2 Other means of identification

Product number -
Other names Benzo(b)thiophene-5-carboxaldehyde

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:10133-30-9 SDS

10133-30-9Relevant academic research and scientific papers

Discovery of novel benzo[b]thiophene tetrazoles as non-carboxylate GPR40 agonists

Huang, Hui,Winters, Michael P.,Meegalla, Sanath K.,Arnoult, Eric,Paul Lee,Zhao, Shuyuan,Martin, Tonya,Rady, Brian,Liu, Jianying,Towers, Meghan,Otieno, Monicah,Xu, Fran,Lim, Heng Keang,Silva, Jose,Pocai, Alessandro,Player, Mark R.

, p. 429 - 436 (2018)

GPR40 partial agonism is a promising new mechanism for the treatment of type 2 diabetes mellitus with clinical proof of concept. Most of the GPR40 agonists in the literature have a carboxylic acid functional group, which may pose a risk for idiosyncratic drug toxicity. A novel series of GPR40 agonists containing a tetrazole as a carboxylic acid bioisostere was identified. This series of compounds features a benzo[b]thiophene as the center ring, which is prone to oxidation during phase 1 metabolism. Following SAR optimization targeting GPR40 agonist activity and intrinsic clearance in microsomes (human and rat), potent and metabolically stable compounds were selected for in vivo evaluation. The compounds are efficacious at lowering blood glucose in a SD rat oGTT model.

A novel preparation of 2-naphthyl and 5-benzo[B]thienyl methanesulfonyl chlorides

Walker, Graham,Rana, Kishore K.

, p. 627 - 632 (2003)

Electron rich arylmethylsulfonyl chlorides can be prepared from arylmethyl bromides by phase transfer sulfonation and chlorination with PCl5.

BCL-2 INHIBITOR

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Paragraph 0532-0534, (2021/10/22)

Disclosed herein is a compound of Formula (I) for inhibiting both Bcl-2 wild type and mutated Bcl-2, in particular, Bcl-2 G101V and D103Y, and a method of using the compound disclosed herein for treating dysregulated apoptotic diseases.

Access to Spirocyclic Benzothiophenones with Multiple Stereocenters via an Organocatalytic Cascade Reaction

Formánek, Bed?ich,Tauchman, Ji?í,Císa?ová, Ivana,Vesely, Jan

, p. 8510 - 8521 (2020/07/16)

The present report describes an organocatalytic cascade reaction between 2-alkylidene benzo[b]thiophenone derivatives and enones in the presence of the Cinchona alkaloid amine. Spirobenzothiophenonic cyclohexane derivatives containing three stereocenters were prepared via one-step synthesis in yields ranging from 88 to 96% and in enantioselectivities (enantiomeric excess (ee)) ranging from 85 to 97%, with diastereoselectivities of approximately 14/2/1. Therefore, this method provides an efficient route for the synthesis of a new class of optically active 2-spirobenzothiophenones.

Generation of Phosphoranyl Radicals via Photoredox Catalysis Enables Voltage-Independent Activation of Strong C-O Bonds

Stache, Erin E.,Ertel, Alyssa B.,Rovis, Tomislav,Doyle, Abigail G.

, p. 11134 - 11139 (2018/11/21)

Despite the prevalence of alcohols and carboxylic acids as functional groups in organic molecules and the potential to serve as radical precursors, C-O bonds remain difficult to activate. We report a synthetic strategy for direct access to both alkyl and acyl radicals from these ubiquitous functional groups via photoredox catalysis. This method exploits the unique reactivity of phosphoranyl radicals, generated from a polar/SET crossover between a phosphine radical cation and an oxygen-centered nucleophile. We show the desired reactivity in the reduction of benzylic alcohols to the corresponding benzyl radicals with terminal H atom trapping to afford the deoxygenated products. Using the same method, we demonstrate access to synthetically versatile acyl radicals, which enables the reduction of aromatic and aliphatic carboxylic acids to the corresponding aldehydes with exceptional chemoselectivity. This protocol also transforms carboxylic acids to heterocycles and cyclic ketones via intramolecular acyl radical cyclizations to forge C-O, C-N, and C-C bonds in a single step.

GPR40 AGONISTS IN ANTI-DIABETIC DRUG COMBINATIONS

-

Paragraph 0529, (2017/10/27)

Disclosed are compositions comprising (a) a GPR40 agonist and (b) an SGLT2 inhibitor, and methods for treating of disorders that are affected by the modulation of the GPR40 receptor and SGLT2 transporter. Such GPR40 compounds are represented by Formula (I) as follows: wherein ring W, R1, R2, R3, R5, R6, A, and Z, are defined herein.

Inhibition of the Cysteine Protease Human Cathepsin L by Triazine Nitriles: Amide???Heteroarene π-Stacking Interactions and Chalcogen Bonding in the S3 Pocket

Giroud, Maude,Ivkovic, Jakov,Martignoni, Mara,Fleuti, Marianne,Trapp, Nils,Haap, Wolfgang,Kuglstatter, Andreas,Benz, J?rg,Kuhn, Bernd,Schirmeister, Tanja,Diederich, Fran?ois

supporting information, p. 257 - 270 (2017/02/15)

We report an extensive “heteroarene scan” of triazine nitrile ligands of the cysteine protease human cathepsin L (hCatL) to investigate π-stacking on the peptide amide bond Gly67–Gly68 at the entrance of the S3 pocket. This heteroarene???peptide bond stacking was supported by a co-crystal structure of an imidazopyridine ligand with hCatL. Inhibitory constants (Ki) are strongly influenced by the diverse nature of the heterocycles and specific interactions with the local environment of the S3 pocket. Binding affinities vary by three orders of magnitude. All heteroaromatic ligands feature enhanced binding by comparison with hydrocarbon analogues. Predicted energetic contributions from the orientation of the local dipole moments of heteroarene and peptide bond could not be confirmed. Binding of benzothienyl (Ki=4 nm) and benzothiazolyl (Ki=17 nm) ligands was enhanced by intermolecular C?S???O=C interactions (chalcogen bonding) with the backbone C=O of Asn66 in the S3 pocket. The ligands were also tested for the related enzyme rhodesain.

SUBSTITUTED BENZOTHIOPHENYL DERIVATIVES AS GPR40 AGONISTS FOR THE TREATMENT OF TYPE II DIABETES

-

Page/Page column 113, (2016/05/02)

Disclosed are compounds, compositions and methods for treating of disorders that are affected by the modulation of the GPR40 receptor. Such compounds are represented by Formula (I) wherein R1, R2, R3, R5, R6, W, and A are defined herein.

GAMMA-DIKETONES AS WNT/BETA -CATENIN SIGNALING PATHWAY ACTIVATORS

-

Paragraph 1750; 1754, (2014/09/03)

The present disclosure provides γ-diketones or analogs thereof, that activate Wnt/β-catenin signaling and thus treat or prevent diseases related to signal transduction, such as osteoporosis and osteoarthropathy; osteogenesis imperfecta, bone defects, bone fractures, periodontal disease, otosclerosis, wound healing, craniofacial defects, oncolytic bone disease, traumatic brain injuries or spine injuries, brain atrophy/neurological disorders related to the differentiation and development of the central nervous system, including Parkinson's disease, strokes, ischemic cerebral disease, epilepsy, Alzheimer's disease, depression, bipolar disorder, schizophrenia; otic disorders like cochlear hair cell loss; eye diseases such as age related macular degeneration, diabetic macular edema or retinitis pigmentosa and diseases related to differentiation and growth of stem cell, such as hair loss, hematopoiesis related diseases and tissue regeneration related diseases.

THERAPEUTIC AGENTS, AND METHODS OF MAKING AND USING THE SAME

-

Page/Page column 176-177, (2010/11/27)

In part, the present invention is directed to antibacterial compounds

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