3-Methoxyphenylboronic Acid Pinacol Ester - CAS 325142-84-5
Catalog: |
BB021319 |
Product Name: |
3-Methoxyphenylboronic Acid Pinacol Ester |
CAS: |
325142-84-5 |
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 |
Description: | 3-Methoxyphenylboronic Acid Pinacol Ester (CAS# 325142-84-5) is used in the preparation of inhibitors of TGF-β1 and activin A signalling. |
Molecular Weight: | 234.10 |
Molecular Formula: | C13H19O3B |
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 |
MDL: | MFCD05863915 |
LogP: | 1.99440 |
Refractive Index: | n20/D 1.502 |
GHS Hazard Statement: | H315 (97.5%): Causes skin irritation [Warning Skin corrosion/irritation] |
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 |
Publication Number | Title | Priority Date |
CN-110964023-A | Fused tetracyclic compounds and application thereof in medicines | 20180930 |
WO-2020063870-A1 | Fused tetracyclic compounds and uses thereof in medicine | 20180930 |
EP-3856740-A1 | Fused tetracyclic compounds and uses thereof in medicine | 20180930 |
KR-20210069680-A | Fused tetracyclic compounds and their use in drugs | 20180930 |
WO-2019207969-A1 | Method for producing copolymer of allyl monomer having polar group | 20180425 |
Complexity: | 262 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 234.1427246 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 234.1427246 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 27.7 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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