3-Methoxyphenylboronic Acid Pinacol Ester

Inquiry

Molecular Formula:

C13H19O3B

Molecular Weight:

234.10

CAS Number:

325142-84-5

Catalog Number:

325142-84-5

Product Information

Molecular Formula:

C13H19O3B

Molecular Weight:

234.10

Description

3-Methoxyphenylboronic Acid Pinacol Ester (CAS# 325142-84-5) is used in the preparation of inhibitors of TGF-β1 and activin A signalling.

Synonyms

2-(3-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane; 2-(3-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

IUPAC Name

2-(3-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Canonical SMILES

B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)OC

InChI

InChI=1S/C13H19BO3/c1-12(2)13(3,4)17-14(16-12)10-7-6-8-11(9-10)15-5/h6-9H,1-5H3

InChI Key

DMKREZLZDOSDQU-UHFFFAOYSA-N

Boiling Point

328.2 °C at 760 mmHg

Flash Point

Not applicable

Density

1.028 g/mL at 25 °C

Storage

2-8 °C

Refractive Index

n20/D 1.502

LogP

1.99440

Safety Information

Hazards

H315 - H319 - H335

Precautionary Statement

P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501

Signal Word

Warning

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

234.1427246 g/mol

Monoisotopic Mass

234.1427246 g/mol

Topological Polar Surface Area

27.7Å²

Heavy Atom Count

Formal Charge

Complexity

262

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

Compound Is Canonicalized

Yes

Patents

Publication Number	Title	Priority Date
CN-110964023-A	Fused tetracyclic compounds and application thereof in medicines	2018-09-30
WO-2020063870-A1	Fused tetracyclic compounds and uses thereof in medicine	2018-09-30
AU-2019348135-A1	Fused tetracyclic compounds and uses thereof in medicine	2018-09-30
EP-3856740-A1	Fused tetracyclic compounds and uses thereof in medicine	2018-09-30
KR-20210069680-A	Fused tetracyclic compounds and their use in drugs	2018-09-30
JP-2022511378-A	Condensed tetracyclic compounds and their use in pharmaceuticals	2018-09-30
US-2022041614-A1	Fused tetracyclic compounds and uses thereof in medicine	2018-09-30
WO-2019207969-A1	Method for producing copolymer of allyl monomer having polar group	2018-04-25
CN-112020520-A	Method for producing allyl monomer copolymer having polar group	2018-04-25
EP-3786196-A1	Method for producing copolymer of allyl monomer having polar group	2018-04-25

The molarity calculator equation

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The dilution calculator equation

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