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5-Hydroxymethylthiophene-2-boronic acid is a chemical compound frequently utilized in scientific and pharmaceutical research. It is characterized by its yellowish-white powder form and plays a crucial role in palladium-catalyzed cross-coupling reactions, which are widely employed in pharmaceutical chemistry for the synthesis of complex molecules. 5-Hydroxymethylthiophene-2-boronic acid is recognized for its stability under normal temperatures and pressures, but it can decompose when exposed to heat. To ensure safety, it should be stored in a tightly closed container in a cool, dry, and well-ventilated area. Being water-soluble, it is relatively safe for the environment and humans if handled correctly. However, it can be hazardous if it comes into contact with skin or eyes, or if ingested or inhaled.

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  • 338454-45-8 Structure
  • Basic information

    1. Product Name: 5-Hydroxymethylthiophene-2-boronic acid
    2. Synonyms: 5-HYDROXYMETHYLTHIOPHENE-2-BORONIC ACID;[5-(hydroxyMethyl)thiophen-2-yl]boronic acid;5-(hydroxymethyl)thiophen-2-yl-2-boronic acid;5-Hydroxymethylthiophene-2-boronic acid, >=98%;5-(Hydroxymethyl)thiophene-2-boronic aicd
    3. CAS NO:338454-45-8
    4. Molecular Formula: C5H7BO3S
    5. Molecular Weight: 157.98
    6. EINECS: N/A
    7. Product Categories: Boronic Acid
    8. Mol File: 338454-45-8.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 399.9 °C at 760 mmHg
    3. Flash Point: 195.6 °C
    4. Appearance: /
    5. Density: 1.42 g/cm3
    6. Vapor Pressure: 4.12E-07mmHg at 25°C
    7. Refractive Index: 1.594
    8. Storage Temp.: Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
    9. Solubility: N/A
    10. PKA: 8.42±0.53(Predicted)
    11. CAS DataBase Reference: 5-Hydroxymethylthiophene-2-boronic acid(CAS DataBase Reference)
    12. NIST Chemistry Reference: 5-Hydroxymethylthiophene-2-boronic acid(338454-45-8)
    13. EPA Substance Registry System: 5-Hydroxymethylthiophene-2-boronic acid(338454-45-8)
  • 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: 338454-45-8(Hazardous Substances Data)

338454-45-8 Usage

Uses

Used in Pharmaceutical Chemistry:
5-Hydroxymethylthiophene-2-boronic acid is used as a reagent in palladium-catalyzed cross-coupling reactions for the synthesis of complex molecules. Its application is crucial in the development of new pharmaceutical compounds, as these reactions allow for the creation of a wide range of molecular structures with potential therapeutic properties.
Used in Scientific Research:
In the field of scientific research, 5-Hydroxymethylthiophene-2-boronic acid is employed as a starting material or intermediate in the synthesis of various organic compounds. Its stability and reactivity make it a valuable component in the preparation of molecules with specific chemical properties, which can be further studied or utilized in different applications.
Used in Drug Synthesis:
5-Hydroxymethylthiophene-2-boronic acid is used as a key component in the synthesis of new drug candidates. Its role in cross-coupling reactions enables the creation of novel molecular entities with potential pharmaceutical applications, contributing to the advancement of drug discovery and development.
Used in Material Science:
In material science, 5-Hydroxymethylthiophene-2-boronic acid can be used as a building block for the development of new materials with specific properties. Its chemical reactivity and stability make it a candidate for the synthesis of materials with tailored characteristics, such as improved conductivity, stability, or other desired attributes.
Used in Environmental Applications:
5-Hydroxymethylthiophene-2-boronic acid can be employed in environmental applications, such as the development of new water treatment processes or the synthesis of environmentally friendly materials. Its water solubility and minimal hazard to humans and the environment when handled appropriately make it a suitable candidate for such applications.

Check Digit Verification of cas no

The CAS Registry Mumber 338454-45-8 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 3,3,8,4,5 and 4 respectively; the second part has 2 digits, 4 and 5 respectively.
Calculate Digit Verification of CAS Registry Number 338454-45:
(8*3)+(7*3)+(6*8)+(5*4)+(4*5)+(3*4)+(2*4)+(1*5)=158
158 % 10 = 8
So 338454-45-8 is a valid CAS Registry Number.
InChI:InChI=1/C5H7BO3S/c7-3-4-1-2-5(10-4)6(8)9/h1-2,7-9H,3H2

338454-45-8SDS

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 [5-(hydroxymethyl)thiophen-2-yl]boronic acid

1.2 Other means of identification

Product number -
Other names (5-hydroxymethyl-thiophen-2-yl)-boron 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:338454-45-8 SDS

338454-45-8Upstream product

338454-45-8Relevant articles and documents

COMPOUNDS AND COMPOSITIONS AS SYK KINASE INHIBITORS

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Page/Page column 97, (2011/02/24)

Provided herein area novel class of compounds, pharmaceutical compositions comprising such compounds and methods of using such compounds to treat or prevent diseases or disorders associated with abnormal or deregulated Syk kinase activity.

S1P RECEPTORS MODULATORS AND THEIR USE THEREOF

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Page/Page column 69, (2010/04/30)

The invention relates to novel compounds that have S1P receptor modulating activity. Further, the invention relates to a pharmaceutical comprising at least one compound of the invention for the treatment of diseases and/or conditions caused by or associated with inappropriate S1P receptor modulating activity or expression, for example, autoimmune response. A further aspect of the invention relates to the use of a pharmaceutical comprising at least one compound of the invention for the manufacture of a medicament for the treatment of diseases and/or conditions caused by or associated with inappropriate S1P receptor modulating activity or expression such as autoimmune response.

BENZAMIDE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE

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Page/Page column 121, (2008/06/13)

The invention relates to the inhibition of histone deacetylase. The invention provides compounds which are derivatives of benzamide and suitable in methods for inhibiting histone deacetylase enzymatic activity. The invention also provides compositions and methods for treating cell proliferative diseases and conditions .

INHIBITORS OF AKT ACTIVITY

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Page/Page column 95, (2010/02/14)

Invented are novel pyridine compounds, the use of such compounds as inhibitors of PKB/AKT kinase activity and in the treatment of cancer and arthritis.

Substituted 5-benzyl-2,4-diaminopyrimidines

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Page column 30-31, (2010/02/09)

The invention relates to substituted 5-benzyl-2,4-diaminopyrimidines of general formula (A) wherein R1is C2-C3 alkyl an R2is heterocyclyl, phenyl or naphthyl, bonded by one of its C-atoms and R3is C2-C6 alkyl, alkenyl, cycloalkyl, cycloalkylalkyl, heterocyclylalkyl, alkylsulfonyl, cycloalkylsulfonyl, cycloalkylalkylsulfamoyl, heterocyclysylfonyl, heterocyclylalkylsulfonyl or dialkylsulfamoyl; wherein alkyl, cycloalkyl and alyenyl can carry up to 6 carbon atoms alone or in compositions and can carry up to 6 ring members heterocyclically, alone, or in compositions and the groups R2and R3can be substituted; and to acid addition salts of compounds. The invention also relates to a method for producing the above 5-benzyl-2,4-diaminopyrimidines, to the intermediate. products that are produced, to corresponding medicaments and to the use of 5-benzyl-2,4-diaminopyrimidines as medicinal preparations. The products have antibiotic properties and are useful for combating or preventing infectious diseases.

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