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1-Benzothien-7-ylboronic acid is a chemical compound that belongs to the class of boronic acids, characterized by a benzothiophene ring fused to a boronic acid group. It is known for its versatile reactivity and ability to form stable complexes with various substrates, making it a valuable building block in organic synthesis, particularly for the formation of carbon-carbon and carbon-heteroatom bonds.

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  • 628692-17-1 Structure
  • Basic information

    1. Product Name: 1-Benzothien-7-ylboronic acid
    2. Synonyms: 1-Benzothien-7-ylboronic acid;boronic acid, benzo[b]thien-7-yl-;1-benzothien-7-ylboronic acid(SALTDATA: 0.8anhydride);1-Benzothiophen-7-ylboronic acid;benzo[b]thiophen-7-ylboronic acid;7-benzothiophenylboronic acid;benzothiophen-7-ylboronic acid
    3. CAS NO:628692-17-1
    4. Molecular Formula: C8H7BO2S
    5. Molecular Weight: 178.01598
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 628692-17-1.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 390.207°C at 760 mmHg
    3. Flash Point: 189.791°C
    4. Appearance: /
    5. Density: 1.355g/cm3
    6. Vapor Pressure: 0mmHg at 25°C
    7. Refractive Index: 1.669
    8. Storage Temp.: Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
    9. Solubility: N/A
    10. CAS DataBase Reference: 1-Benzothien-7-ylboronic acid(CAS DataBase Reference)
    11. NIST Chemistry Reference: 1-Benzothien-7-ylboronic acid(628692-17-1)
    12. EPA Substance Registry System: 1-Benzothien-7-ylboronic acid(628692-17-1)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: IRRITANT
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 628692-17-1(Hazardous Substances Data)

628692-17-1 Usage

Uses

Used in Pharmaceutical Industry:
1-Benzothien-7-ylboronic acid is used as a key intermediate in the synthesis of pharmaceutical compounds for its ability to facilitate the formation of complex molecular structures, contributing to the development of new drugs with potential therapeutic applications.
Used in Agrochemical Industry:
In the agrochemical sector, 1-Benzothien-7-ylboronic acid serves as a crucial component in the creation of agrochemicals, aiding in the synthesis of molecules with pesticidal or herbicidal properties, thereby enhancing crop protection and yield.
Used in Material Science:
1-Benzothien-7-ylboronic acid is utilized as a building block in the development of new materials with specific properties, such as conductivity, stability, or reactivity, which can be applied in various technological and industrial applications.
Used in Drug Discovery:
1-Benzothien-7-ylboronic acid is studied for its potential biological activities, making it a promising candidate for drug discovery efforts. Its unique chemical structure and reactivity may lead to the identification of new bioactive compounds with therapeutic potential.

Check Digit Verification of cas no

The CAS Registry Mumber 628692-17-1 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 6,2,8,6,9 and 2 respectively; the second part has 2 digits, 1 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 628692-17:
(8*6)+(7*2)+(6*8)+(5*6)+(4*9)+(3*2)+(2*1)+(1*7)=191
191 % 10 = 1
So 628692-17-1 is a valid CAS Registry Number.
InChI:InChI=1/C8H7BO2S/c10-9(11)7-3-1-2-6-4-5-12-8(6)7/h1-5,10-11H

628692-17-1SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 11, 2017

Revision Date: Aug 11, 2017

1.Identification

1.1 GHS Product identifier

Product name 1-Benzothien-7-ylboronic acid

1.2 Other means of identification

Product number -
Other names 1-benzothiophen-7-ylboronic acid

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:628692-17-1 SDS

628692-17-1Relevant articles and documents

Compound with screw structure and organic electroluminescent device thereof

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Paragraph 0057; 58; 0059; 0083; 0084; 0085, (2016/10/08)

The invention provides an organic electroluminescent compound with a screw structure such as structural formula I, which has excellent thermal stability, high luminous efficiency, high optical purity and low driving voltage, can be used to make organic el

IMIDAZOLIDINONYL AMINOPYRIMIDINE COMPOUNDS FOR THE TREATMENT' OF CANCER

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Page/Page column 7-8, (2008/12/06)

The present invention provides novel imidazolidinonyl aminopyrimidine compounds believed to have clinical use for treatment of cancer through inhibiting Plk1. wherein: R1 hydrogen, hydroxy, halo, methyl, C1-C2 alkoxy, amino, or rnethylamino; R2 is hydrogen, halo, or cyano; R3 is hydrogen or halo;, R4 is hydrogen, halo, or methyl; provided that at least two of R1, R2, R3, and R4 are hydrogen; R5 is hydrogen, halo, or methyl; or a pharmaceutically acceptable salt thereof.

IMIDAZOLIDINONYL AMINOPYRIMIDINE COMPOUNDS FOR THE TREATMENT OF CANCER

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Page/Page column 7, (2008/12/06)

The present invention provides novel imidazolidinonyl aminopyrimidine compounds believed to have clinical use for treatment of cancer through inhibiting Plk1. Formula I wherein: R1 is aminomethyl, (C1-C3 alkyl)aminomethyl, di(C1-C2 alkyl)aminomethyl, N- ethyl-N-methyl-aminomethyl, 1-aminoethyl, 1-((C1-C2 alkyl)amino)-ethyl, 3,3,3- trifluoropropylaminomethyl, ethynyl, 2-hydroxy-ethoxy, 2-hydroxyethylaminomethyl, 2- cyanoethylaminomethyl, mopholin-4-ylmethyl, methoxymethoxymethyl, cyclopropyl, 1- azetidinylmethyl, 1-pyrrolidinylmethyl, or 1,3-dioxolan-2-yl; R2 is hydrogen or halo; R3 is hydrogen or halo; provided that at least one of R2 and R3 is hydrogen; R4 is hydrogen, methyl, or halo; and is a single bond that is either present or absent, or a pharmaceutically acceptable salt thereof.

TRIAZOLYL AMINOPYRIMIDINE COMPOUNDS

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Page/Page column 9; 10, (2009/01/20)

The present invention provides triazolyl aminopyrimidine compounds useful in the treatment of cancer.

AMINO-HETEROCYCLES AS VR-1 ANTAGONISTS FOR TREATING PAIN

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Page 42, (2010/02/07)

the present invention provides a compound of formula (I): wherein V represents NR5, O, S, SO or S(O)2; W and X each independently represent CH or N; Y represents N, CH or C-Ar2, with the proviso that at least one, but no more than two, of W, X and Y are N; Z represents CH or C-Ar2, with the proviso that when Y is N or CH then Z is C-Ar2, and with the further proviso that when Y is C-Ar2 then Z is CH; Ar1 represents a fused 9 or 10 membered heterobicyclic ring system containing one, two, three or four heteroatoms selected from nitrogen, oxygen and sulfur, wherein at least one of the rings in said ring system is aromatic; Ar2 represents an aromatic ring selected from phenyl, pyridyl, pyrimidinyl and pyridazinyl which is optionally fused and substituted; R1 represents halogen, hydroxy, oxo, C1-6alkyl, C2-6alkenyl, C2-6alkynyl, haloC1-6alkyl, hydroxyC1-6alkyl, C1-6alkoxy, haloC1-6alkoxy, hydroxyC1-6alkoxy, C3-7cycloalkyl, C3-7cycloalkoxy, C3-5cycloalkylC1-4alkyl, cyano, nitro, SR6, SOR6, SO2R6, COR6, NR3COR6, CONR3R4, NR3SO2R6, SO2NR3R4, -(CH2)mcarboxy, esterified -(CH2)mcarboxy or -(CH2)mNR3R4; R2 represents hydrogen, halogen, hydroxy, C1-6alkyl, haloC1-6alkyl, C3-7cycloalkyl, C1-6alkoxy, haloC1-6alkoxy, unsubstituted phenyl or phenyl substituted with one or two groups selected from halogen, C1-6alkyl, haloC1-6alkyl, C3-7cycloalkyl, C1-6alkoxy or haloC1-6alkoxy; R3 and R4 are each independently hydrogen, C1-6alkyl, C2-6alkenyl, C2-6alkynyl, C3-7cycloalkyl or fluoroC1-6alkyl; or R3 and R4 and the nitrogen atom to which they are attached together form a heteroaliphatic ring of 4 to 7 ring atoms, optionally substituted by one or two groups selected from hydroxy or C1-4alkoxy, which ring may optionally contain as one of the said ring atoms an oxygen or a sulfur atom, S(O), S(O)2, or NR5; R5 represents hydrogen, C1-4alkyl, hydroxyC1-4alkyl or C1-4alkoxyC1-4alkyl; R6 represents hydrogen, C1-6alkyl, fluoroC1-6alkyl, C3-7cycloalkyl, unsubstituted phenyl, or phenyl substituted with one or two groups selected from halogen, C1-6alkyl, haloC1-6alkyl, C3-7cycloalkyl, C1-6alkoxy or haloC1-6alkoxy; m is either zero or an integer from 1 to 4; n is either zero or an integer from 1 to 3; or a pharmaceutically acceptable salt, N-oxide or a prodrug thereof; a pharmaceutical composition comprising it; its use in methods of treatment; use of it for the manufacture of a medicament for treating VR-1 related conditions such as those in which pain and/or inflammation predominate; and methods of treatment using it.

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