3-Methoxyphenylboronic Acid Pinacol Ester
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
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
0
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
2
Exact Mass
234.1427246 g/mol
Monoisotopic Mass
234.1427246 g/mol
Topological Polar Surface Area
27.7Ų
Heavy Atom Count
17
Formal Charge
0
Complexity
262
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-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 |
