(5-Methyl-1-benzothiophen-2-yl)boronic acid

Basic Information

View in Editor

CAS Number

136099-65-5

Molecular Formula

C9H9BO2S

Molecular Weight

192.05 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Melting Point

100 °C

SMILES

View in Editor

B(C1=CC2=C(S1)C=CC(=C2)C)(O)O

InChI

InChI=1S/C9H9BO2S/c1-6-2-3-8-7(4-6)5-9(13-8)10(11)12/h2-5,11-12H,1H3

InChIKey

DHNHZPQPQAINDI-UHFFFAOYSA-N

LogP

0.8895199999999999

Topological Polar Surface Area

40.46 Å²

Hydrogen Bond Donor/Acceptor

2 / 2

Complexity

189

Safety Information

View Safety Information

Hazard Statement

Synonyms & References

English

CHEMBL238243
CS-0175860
PS-9458
DHNHZPQPQAINDI-UHFFFAOYSA-N
5-methylbenzo[b]thiophene-2-boronic acid
AB23067
5-methyl-benzo[b]thiophen-2-ylboronic acid
5-methylbenzo[b]thiophen-2-ylboronic acid
5-METHYLBENZOTHIPHENE-2-BORONIC ACID
J-517803
5-Methylbenzo(B)thiophene-2-boronic acid
UNII-G45937Q6VZ
G45937Q6VZ
5-methylbenzo[b]thiophene-2-boronicacid
BDBM50225371
B-(5-Methylbenzo(B)thien-2-yl)boronic acid
MFCD06200866
SCHEMBL289762
5-METHYLBENZOTHIOPHENE-2-BORONIC ACID
F82907
DTXSID20383286
(5-methyl-1-benzothiophen-2-yl)boronic acid
Boronic acid, B-(5-methylbenzo(B)thien-2-yl)-
136099-65-5
(5-methylbenzo[b]thiophen-2-yl)boronic acid
AKOS011560074
PD182639
A22970
FT-0643252
5-Methylbenzo[b]thiophene-2-boronic acid
5-Methylbenzothiphene-2-boronic acid

MDL Number

MFCD06200866

FAQ

What are the physical and chemical properties of (5-Methyl-1-benzothiophen-2-yl)boronic acid (CAS: 136099-65-5)?

(5-Methyl-1-benzothiophen-2-yl)boronic acid is a solid with a crystalline form. It has a molecular weight of approximately 283.3 g/mol and is slightly soluble in water. It is reactive and readily forms coordination complexes with various metals. This compound is often used in organic synthesis due to its reactivity and specific functional groups.

How is (5-Methyl-1-benzothiophen-2-yl)boronic acid (CAS: 136099-65-5) typically synthesized?

(5-Methyl-1-benzothiophen-2-yl)boronic acid is typically synthesized via a Suzuki coupling reaction, where a boronic acid reacts with a bromo or iodo benzothiophene derivative in the presence of a palladium catalyst and a base. This method provides high selectivity and yield, making it a common approach in synthetic chemistry.

What industries use (5-Methyl-1-benzothiophen-2-yl)boronic acid (CAS: 136099-65-5)?

(5-Methyl-1-benzothiophen-2-yl)boronic acid is used in the pharmaceutical industry for the synthesis of先导化合物和药物中间体，以及在聚合物和半导体领域中作为功能材料。此外，它还被用于传感器和电子材料的制备中。

What precautions should be taken when handling (5-Methyl-1-benzothiophen-2-yl)boronic acid (CAS: 136099-65-5)?

When handling (5-Methyl-1-benzothiophen-2-yl)boronic acid, it is important to use personal protective equipment (PPE) such as gloves, safety goggles, and a lab coat. Work in a fume hood to minimize exposure. Spills should be cleaned up immediately using appropriate absorbents and disposed of according to local regulations. Always refer to the Safety Data Sheet (SDS) for detailed handling instructions and emergency procedures.