5-Bromothiophene-2-boronic Acid

Product Information

Molecular Formula:
C4H4BrO2SB
Molecular Weight:
206.85
Description
Reactant involved in: Suzuki coupling reactions for the synthesis of benzotriazole-containing organic sensitizers and meso-Polyarylamide-BODIPY hybrids; Suzuki-Miyaura coupling for the synthesis of ratanhine; Microwave-assisted Sonogashira reactions for the synthesis of ethynylarylboronates.
Synonyms
(5-bromo-2-thiophenyl)boronic acid; (5-bromothiophen-2-yl)boronic acid
IUPAC Name
(5-bromothiophen-2-yl)boronic acid
Canonical SMILES
B(C1=CC=C(S1)Br)(O)O
InChI
InChI=1S/C4H4BBrO2S/c6-4-2-1-3(9-4)5(7)8/h1-2,7-8H
InChI Key
USJPOBDLWVCPGG-UHFFFAOYSA-N
Boiling Point
342.3 °C at 760 mmHg
Melting Point
95-100 °C (lit.)
Flash Point
Not applicable
Purity
≥ 95 %
Density
1.87 g/cm3
Storage
2-8 °C
LogP
0.19040

Safety Information

Precautionary Statement
P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362
Signal Word
Warning

Computed Properties

Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
1
Exact Mass
205.92084 g/mol
Monoisotopic Mass
205.92084 g/mol
Topological Polar Surface Area
68.7Ų
Heavy Atom Count
9
Formal Charge
0
Complexity
103
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes

Patents

Publication Number Title Priority Date
CN-113788790-A Aromatic heterocyclic amide derivative and application thereof 2021-10-18
AU-2021103877-A4 Virtual screening method for small molecular reversible inhibitors of flavobacterium alkaline metalloproteinase 2021-07-05
CN-112915205-A Photosensitizer/enzyme combination delivery system for anti-tumor photodynamic sensitization therapy and preparation method thereof 2021-02-03
WO-2022008732-A1 Enhancing the activity of antimicrobial preservatives 2020-07-10
WO-2021146255-A1 Compositions comprising a lipolytic enzyme variant and methods of use thereof 2020-01-13
WO-2021115912-A1 Formulations comprising a hydrophobically modified polyethyleneimine and one or more enzymes 2019-12-09
WO-2021074430-A1 Storage-stable hydrolase containing liquids 2019-10-18
WO-2021058452-A1 Mannanase for formulations having ph 5-12 2019-09-23
WO-2021058453-A1 Mannanase for formulations having ph 5-12 2019-09-23
WO-2020229480-A1 Compounds stabilizing hydrolases in liquids 2019-05-14

Literatures

PMID Publication Date Title Journal
15727879 2005-03-15 Structure-activity relationship for aryl and heteroaryl boronic acid inhibitors of hormone-sensitive lipase Bioorganic & medicinal chemistry
5775 1976-06-18 Lymphocyte-induced angiogenesis in tumor-bearing mice Science (New York, N.Y.)
3779 1976-02-01 Detrimental effect of in vitro salivary contamination of acid-etched enamel Proceedings of the Finnish Dental Society. Suomen Hammaslaakariseuran toimituksia
4946 1976-01-01 Policy statement on the changeover to Système International (SI) in Acta anaesthesiological Scandinavica Acta anaesthesiologica Scandinavica
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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