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3-Chloro-1-benzothiophene-2-carbaldehyde is a chemical compound characterized by the molecular formula C10H7ClOS. It is a yellow to orange solid known for its strong odor and classified as a potentially hazardous substance. 3-CHLORO-1-BENZOTHIOPHENE-2-CARBALDEHYDE serves as a crucial intermediate in the synthesis of a variety of pharmaceuticals, agrochemicals, and organic compounds. Its unique chemical structure and reactivity make it a valuable asset in organic synthesis and medicinal chemistry, particularly for its role as a building block in the production of complex organic molecules.

14006-54-3

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14006-54-3 Usage

Uses

Used in Pharmaceutical Industry:
3-Chloro-1-benzothiophene-2-carbaldehyde is used as a key intermediate in the synthesis of various pharmaceuticals. Its unique structure and reactivity allow for the creation of complex organic molecules that can be utilized in the development of new drugs and therapeutic agents.
Used in Agrochemical Industry:
In the agrochemical sector, 3-chloro-1-benzothiophene-2-carbaldehyde is employed as an intermediate for the synthesis of compounds that have applications in crop protection and pest control. Its chemical properties make it suitable for the development of new agrochemicals that can enhance crop yields and protect against various pests.
Used in Organic Synthesis:
3-Chloro-1-benzothiophene-2-carbaldehyde is used as a building block in organic synthesis for the production of complex organic molecules. Its ability to introduce a carbonyl group into a molecule makes it a valuable tool in chemical reactions and processes that require such modifications.
Used in Research and Development Laboratories:
3-CHLORO-1-BENZOTHIOPHENE-2-CARBALDEHYDE is commonly used in research and development laboratories for its role in the synthesis of new organic compounds and its potential applications in various chemical processes. Its unique properties and reactivity make it an essential component in the exploration of new chemical pathways and the development of innovative products.

Check Digit Verification of cas no

The CAS Registry Mumber 14006-54-3 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 1,4,0,0 and 6 respectively; the second part has 2 digits, 5 and 4 respectively.
Calculate Digit Verification of CAS Registry Number 14006-54:
(7*1)+(6*4)+(5*0)+(4*0)+(3*6)+(2*5)+(1*4)=63
63 % 10 = 3
So 14006-54-3 is a valid CAS Registry Number.
InChI:InChI=1/C9H5ClOS/c10-9-6-3-1-2-4-7(6)12-8(9)5-11/h1-5H

14006-54-3SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 13, 2017

Revision Date: Aug 13, 2017

1.Identification

1.1 GHS Product identifier

Product name 3-chloro-1-benzothiophene-2-carbaldehyde

1.2 Other means of identification

Product number -
Other names 3-chloro-2-formylbenzothiophene

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:14006-54-3 SDS

14006-54-3Relevant academic research and scientific papers

Polythienobenzothiophenes, a new family of electroactive polymers: Electrosynthesis, spectral characterization and modelling

Fouad, Irari,Mechbal, Zouhair,Chane-Ching, Kathleen I.,Adenier, Alain,Maurel, Francois,Aaron, Jean-Jacques,Vodicka, Petr,Cernovska, Katerina,Kozmik, Vaclav,Svoboda, Jiri

, p. 1711 - 1721 (2004)

New conducting polymers, including poly[thieno[3,2-b][1]benzothiophene] (poly-TBT) and poly [6-methoxythieno[3,2-b][1]benzothiophene] (poly-MeOTBT) were electrosynthesized by anodic oxidation of the corresponding monomers in 0.1 M LiClO4 acetonitrile solution. Poly-TBT and poly-MeOTBT electroactive films were formed on platinum electrodes and characterized spectroscopically. FT-IR studies show that both polymers present couplings occurring on the thiophene moiety and the phenyl ring, with a step-like structure. MALDI-TOF mass spectrometry indicates that poly-TBT and poly-MeOTBT films are mainly constituted of short-chain oligomers. The results of molecular orbital (MO) calculations performed on the basis of a radical-cation electropolymerization mechanism are in good agreement with our spectral data.

Monodentate Transient Directing Group Enabled Pd-Catalyzed Ortho-C-H Methoxylation and Chlorination of Benzaldehydes

Li, Feng,Zhou, Yirong,Yang, Heng,Wang, Ziqi,Yu, Qinqin,Zhang, Fang-Lin

supporting information, p. 3692 - 3695 (2019/05/24)

We report Pd-catalyzed ortho-C-H methoxylation and chlorination of benzaldehydes by employing monodentate transient directing groups (TDGs) as an alternative strategy to bidentate TDGs. More importantly, a single crystal of benzaldehyde imine ortho-cyclopalladium intermediate was successfully obtained, and its structure was unambiguously determined by X-ray diffraction, which clearly showed that it was a binuclear palladium species bridged by a pyridone ligand. The utility of this approach was further demonstrated through the synthesis of key intermediates of natural products and drugs.

Efficient preparation method of 3-substitued-benzo five-membered heterocycle-2-carbonyl compound

-

Paragraph 0207-0209, (2017/08/30)

The invention discloses an efficient compounding method of a 3-substitued-benzo five-membered heterocycle-2-carbonyl compound. According to the method, a 3-substitued-benzo five-membered heterocycle-2-alcohol compound is subjected to a halogenated oxidation reaction by a halogenating reagent to generate the corresponding 3-substitued-benzo five-membered heterocycle-2-carbonyl compound. The efficient compounding method has the advantages that raw materials are easy to get, reaction conditions are mild, and reaction selectively and yield are high.

Facile Synthesis of 3-Halobenzo-heterocyclic-2-carbonyl Compounds via in situ Halogenation-Oxidation

Jiang, Xiaojian,Yang, Junjie,Zhang, Feng,Yu, Pei,Yi, Peng,Sun, Yewei,Wang, Yuqiang

supporting information, p. 2678 - 2683 (2016/09/03)

A facile method to synthesize 3-halobenzo-heterocyclic-2-carbonyl compounds is described. Mechanistic studies suggested that a halo-cyclization process, which generated the unstable spiro-acetal transition state and readily convertible to the corresponding carbonyl compound might be involved. Diverse 3-halobenzo-heterocyclic-2-carbonyl compounds could be synthesized with up to 95 % yield in mild conditions with inexpensive starting materials. (Figure presented.).

Agents and methods for treating ischemic and other diseases

-

, (2016/06/01)

This invention relates to compounds that modulate TRPM7 protein activity and use of the same for treatment or prophylaxis of ischemia, cancer, pain or glaucoma.

Methods of treating soft tissue defects

-

, (2016/06/01)

The specification discloses compositions and methods for treating a soft tissue defect of an individual.

COMPOSITIONS AND IMPROVED SOFT TISSUE REPLACEMENT METHODS

-

, (2012/03/10)

The present specification discloses compositions and methods of transplanting tissue useful for treating a soft tissue condition of an individual.

Domino Vilsmeier-Haack/ring closure sequences: A facile synthesis of 3-chlorobenzo[b]thiophene-2-carbaldehydes

Paul, Nidhin,Muthusubramanian, Shanmugam

scheme or table, p. 3743 - 3746 (2011/08/06)

Vilsmeier's reagent treatment of substituted diphenacyl sulfides or diphenacyl disulfides has led to the formation of a series of benzfused 3-chlorothiophene-2-carbaldehydes by a Domino Vilsmeier-Haack reaction/ring closure sequence, opening a new route for the synthesis of 3-chlorobenzo[b] thiophene-2-carbaldehydes and their benzfused analogues. A plausible mechanism has been proposed.

2,3,4-substituted cyclopentanones as therapeutic agents

-

Page/Page column 19, (2010/11/08)

Disclosed herein are compounds comprising or a pharmaceutically acceptable salt or a prodrug thereof; wherein Y, A, B, J, and E are further described. Methods, compositions, and medicaments related thereto are also disclosed.

2,3,4-Substituted cyclopentanones as therapeutic agents

-

Page/Page column 15; sheet 1, (2010/11/30)

Disclosed herein are compounds comprising or a pharmaceutically acceptable salt or a prodrug thereof, wherein a dashed line represents the presence or absence of a bond; Y is a carboxylic acid, sulfonic acid, or phosphonic acid functional group; or an amide or ester thereof comprising from 0 to 12 carbon atoms; or Y is hydroxymethyl or an ether thereof comprising from 0 to 12 carbon atoms; or Y is a tetrazolyl functional group; A is —(CH2)6—, cis —CH2—CH═CH—(CH2)3—, or —CH2—C≡C—(CH2)3— wherein 1 or 2 carbons may be substituted with S or O; B is hydrogen, C1-6 hydrocarbyl, CN, CO2H, or —(CH2)mX(CH2)pH, wherein m is at least 1 and the sum of m and p is from 1 to 5; X is S or O; J is H, CH3, or CF3; D is a covalent bond, CH2, O, or S; and E is an aromatic heterobicyclic ring system which may have substituents comprising up to 6 non-hydrogen atoms each. Methods, compositions, and medicaments related thereto are also disclosed.

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