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6-Methoxy-benzo[b]thiophene-2-carboxylic acid is a chemical compound characterized by the molecular formula C11H8O3S. It is a benzo[b]thiophene derivative featuring a carboxylic acid functional group and a methoxy substituent. This unique chemical structure endows it with potential biological activity, making it a valuable compound in various industries.

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  • 102539-79-7 Structure
  • Basic information

    1. Product Name: 6-METHOXY-BENZO[B]THIOPHENE-2-CARBOXYLIC ACID
    2. Synonyms: 6-METHOXY-BENZO[B]THIOPHENE-2-CARBOXYLIC ACID;Benzo[b]thiophene-2-carboxylic acid, 6-Methoxy-;6-Methoxy-1-benzothiophene-2-carboxylic acid;6-methoxy-2-benzothiophenecarboxylic acid
    3. CAS NO:102539-79-7
    4. Molecular Formula: C10H8O3S
    5. Molecular Weight: 208.23
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 102539-79-7.mol
  • Chemical Properties

    1. Melting Point: 248.5-249 °C(Solv: acetone (67-64-1); benzene (71-43-2))
    2. Boiling Point: 410 °C at 760 mmHg
    3. Flash Point: 201.8 °C
    4. Appearance: /
    5. Density: 1.392 g/cm3
    6. Vapor Pressure: 1.86E-07mmHg at 25°C
    7. Refractive Index: 1.673
    8. Storage Temp.: 2-8°C
    9. Solubility: N/A
    10. PKA: 3.58±0.30(Predicted)
    11. CAS DataBase Reference: 6-METHOXY-BENZO[B]THIOPHENE-2-CARBOXYLIC ACID(CAS DataBase Reference)
    12. NIST Chemistry Reference: 6-METHOXY-BENZO[B]THIOPHENE-2-CARBOXYLIC ACID(102539-79-7)
    13. EPA Substance Registry System: 6-METHOXY-BENZO[B]THIOPHENE-2-CARBOXYLIC ACID(102539-79-7)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 102539-79-7(Hazardous Substances Data)

102539-79-7 Usage

Uses

Used in Pharmaceutical Industry:
6-Methoxy-benzo[b]thiophene-2-carboxylic acid is used as a key intermediate in the synthesis of pharmaceuticals due to its potential biological activity. Its unique chemical structure allows it to be incorporated into the development of new drugs, contributing to the advancement of medicinal chemistry.
Used in Agrochemical Industry:
In the agrochemical industry, 6-Methoxy-benzo[b]thiophene-2-carboxylic acid serves as a building block in the synthesis of agrochemicals. Its potential biological activity makes it a valuable component in the development of new pesticides or other agrochemical products.
Used in Dye and Pigment Production:
6-Methoxy-benzo[b]thiophene-2-carboxylic acid is utilized in the production of dyes and pigments. Its chemical properties and structure contribute to the creation of a wide range of colorants used in various applications, such as textiles, plastics, and printing inks.
Used in Organic Synthesis:
6-Methoxy-benzo[b]thiophene-2-carboxylic acid may have applications in organic synthesis as a versatile building block. Its unique structure allows for further chemical modifications and reactions, enabling the synthesis of a variety of organic compounds for different purposes.

Check Digit Verification of cas no

The CAS Registry Mumber 102539-79-7 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,0,2,5,3 and 9 respectively; the second part has 2 digits, 7 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 102539-79:
(8*1)+(7*0)+(6*2)+(5*5)+(4*3)+(3*9)+(2*7)+(1*9)=107
107 % 10 = 7
So 102539-79-7 is a valid CAS Registry Number.
InChI:InChI=1/C10H8O3S/c1-13-7-3-2-6-4-9(10(11)12)14-8(6)5-7/h2-5H,1H3,(H,11,12)

102539-79-7SDS

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 6-methoxy-1-benzothiophene-2-carboxylic acid

1.2 Other means of identification

Product number -
Other names 6-Methoxy-benzothiophen-carbonsaeure-(2)

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:102539-79-7 SDS

102539-79-7Relevant articles and documents

Substituted benzothiophene and benzofuran derivatives as a novel class of bone morphogenetic Protein-2 upregulators: Synthesis, anti-osteoporosis efficacies in ovariectomized rats and a zebrafish model, and ADME properties

Guo, Hui-Fang,Jin, Jie,Li, Zhuo-rong,Liu, Zong-ying,Xie, Zhuo-song,Xue, Si-tu,Yi, Hong,Zhang, Lei

, (2020)

The bone morphogenetic protein (BMP) pathway is a promising new target for the design of therapeutic agents for the treatment of low bone mass. This study optimized the structure of the anti-osteoporosis compound 38 by balancing its lipophilicity and impr

Discovery of fluorescent coumarin-benzo[b]thiophene 1, 1-dioxide conjugates as mitochondria-targeting antitumor STAT3 inhibitors

Cai, Guiping,Yu, Wenying,Song, Dongmei,Zhang, Wenda,Guo, Jianpeng,Zhu, Jiawen,Ren, Yuhao,Kong, Lingyi

, p. 236 - 251 (2019)

STAT3 has been extensively studied as a potential antitumor target. Though studies on regulating STAT3 mainly focus on the inhibition of STAT3 phosphorylation at Tyr705 residue, the phosphorylation at Ser727 residue of STAT3 protein is also closely associated with the mitochondrial import of STAT3 protein. N, N-diethyl-7-aminocoumarin is a fluorescent mitochondria-targeting probe. In this study, a series of STAT3 inhibitors were developed by connecting N, N-diethyl-7-aminocoumarin fluorophore with benzo [b]thiophene 1, 1-dioxide moiety. All designed compounds displayed potent anti-proliferative activity against cancer cells. The representative compound 7a was mainly accumulated in mitochondria visualized by its fluorescence. STAT3 phosphorylation was inhibited by compound 7a at both Tyr705 and Ser727 residues. Compound 7a inhibited STAT3 phosphorylation whereas had no influence on the phosphorylation levels of STAT1, JAK2, Src and Erk1/2, indicating good selectivity of compound 7a. Moreover, compound 7a down-regulated the expression of STAT3 target genes Bcl-2 and Cyclin D1, increased ROS production and remarkably reduced the mitochondrial membrane potential to induce mitochondrial apoptotic pathway. Furthermore, compound 7a in vivo suppressed breast cancer 4T1 implanted tumor growth. Taken together, these results highlighted that compound 7a might be a promising mitochondria-targeting STAT3 inhibitor for cancer therapy.

CERAMIDE GALACTOSYLTRANSFERASE INHIBITORS FOR THE TREATMENT OF DISEASE

-

, (2018/07/29)

Described herein are compounds, methods of making such compounds, pharmaceutical compositions and medicaments containing such compounds, and methods of using such compounds to treat or prevent diseases or disorders associated with the enzyme ceramide galactosyltransferase (CGT), such as, for example, lysosomal storage diseases. Examples of lysosomal storage diseases include, for example, Krabbe disease and Metachromatic Leukodystrophy.

Benzocarbazoles five-membered unsaturated heterocyclic compound or its pharmaceutically acceptable salts and its preparation method, pharmaceutical composition and its application

-

Paragraph 0279-0281, (2016/10/08)

Provided in the present invention are an unsaturated 5-membered benzo-heterocyclic compound with the structure as shown in general formula I or pharmaceutical salts thereof, and a preparation method, a pharmaceutical composition and the use thereof. Experiments have shown that the compound of the present invention has the effects of upregulating the expression activity of bone morphogenetic protein BMP-2 and anti-osteoporosis in vivo, and also has the effect of improving SAMP6 mice osteoporosis symptoms. Activity tests in vitro have shown that the compound of the present invention shows an obvious upregulation effect on bone morphogenetic protein BMP-2.

SULFONAMIDES AS TRPM8 MODULATORS

-

, (2012/07/31)

Disclosed are compounds, compositions and methods for treating various diseases, syndromes, conditions and disorders, including pain. Such compounds are represented by Formula I as follows: wherein A, B, G, Y, R1, R2, R3, and R4 are defined herein.

SULFONAMIDES AS TRPM8 MODULATORS

-

Page/Page column 211-212, (2009/03/07)

ABSTRACT Disclosed are compounds, compositions and methods for treating various diseases, syndromes, conditions and disorders, including pain. Such compounds are represented by Formula (I) as follows: wherein A, B, G, Y, R1, R2, R3 and R4 are defined herein

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