trans-4-(t-Butyldimethylsilyloxy)-1-buten-1-ylboronic acid, pinacol ester

Inquiry

Product Information

Molecular Formula:
C16H33BO3Si
Molecular Weight:
312.3
Description
trans-4-(t-Butyldimethylsilyloxy)-1-buten-1-ylboronic acid, pinacol ester is a biomedicine chemical used in the drug development of various diseases and drug development. It acts as a boronic acid derivative that can be utilized in medicinal chemistry for the synthesis of potential drugs. Its role includes targeting specific enzymes or pathways related to diseases like cancer and diabetes, aiding in drug discovery and development processes.
Synonyms
trans-2-[4-(t-Butyldimethylsilyloxy)-1-buten-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
IUPAC Name
tert-butyl-dimethyl-[(E)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-enoxy]silane
Canonical SMILES
B1(OC(C(O1)(C)C)(C)C)C=CCCO[Si](C)(C)C(C)(C)C
InChI
InChI=1S/C16H33BO3Si/c1-14(2,3)21(8,9)18-13-11-10-12-17-19-15(4,5)16(6,7)20-17/h10,12H,11,13H2,1-9H3/b12-10+
InChI Key
ODTSJDLTXNDTBB-ZRDIBKRKSA-N
Boiling Point
297-298 °C (lit.)
Flash Point
Not applicable
Purity
95%
Density
0.888 g/mL at 25 °C (lit.)
Appearance
Colorless liquid
Refractive Index
n20/D 1.4470 (lit.)

Computed Properties

Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
6
Exact Mass
312.2292016 g/mol
Monoisotopic Mass
312.2292016 g/mol
Topological Polar Surface Area
27.7Ų
Heavy Atom Count
21
Formal Charge
0
Complexity
368
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
1
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes

Patents

Publication Number Title Priority Date
US-2021122764-A1 Small Molecule Inhibitors of KRAS G12C Mutant 2019-10-28
WO-2021086833-A1 Small molecule inhibitors of kras g12c mutant 2019-10-28
TW-202130645-A Small molecule inhibitors of kras g12c mutant 2019-10-28
JP-2020517655-A CD73 inhibitor 2018-03-01
CN-111819173-A CD73 inhibitor 2018-03-01
JP-6794560-B2 CD73 inhibitor 2018-03-01
US-2021002257-A1 Cd73 inhibitors 2018-03-01
US-11028074-B2 CD73 inhibitors 2018-03-01
EP-3759096-B1 Cd73 inhibitors 2018-03-01
CN-110914254-A Azole-substituted pyridine compound 2017-08-10
The molarity calculator equation

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

Calculate
The dilution calculator equation

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

This equation is commonly abbreviated as: C1V1 = C2V2

Calculate

Related Products

Polymer Applications
Automotive
Automotive

BOC Sciences can provide a wide variety of raw materials from upstream lines for automotive parts manufacturing, such as monomers, polymers and additives.

Read More
Composites
Composites

BOC Sciences supplies the necessary raw materials to help you manufacture ideal composites.

Read More
Healthcare
Healthcare

BOC Sciences can help our customers further understand the functionality and applicable requirements for raw materials in different healthcare segments.

Read More
Electronics
Electronics

BOC Sciences' seasoned experts can help you from upstream lines to arrive at the most appropriate solution to improve production and optimize your bottom line.

Read More
Packaging
Packaging

BOC Sciences can help you arrive at an optimal solution to improve your research projects and manufacturing process.

Read More
Customer Support
Customer Support
International
US & Canada (Toll free)
UK

Ask a Question
Online Inquiry
  • Verification code
Navigation
USA
  • International:
  • US & Canada (Toll free):
  • Email:
  • Fax:
UK
  • Email:
Copyright © 2025 BOC Sciences. All rights reserved.
Top
Inquiry Basket
Loading ......
Delete selectedGo to checkout