4-(Phthalimidomethyl)phenylboronic Acid Pinacol Ester - CAS 138500-87-5
Catalog: |
BB008774 |
Product Name: |
4-(Phthalimidomethyl)phenylboronic Acid Pinacol Ester |
CAS: |
138500-87-5 |
Synonyms: |
2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]isoindole-1,3-dione; 2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]isoindole-1,3-dione |
IUPAC Name: | 2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]isoindole-1,3-dione |
Description: | 4-(Phthalimidomethyl)phenylboronic Acid Pinacol Ester (CAS# 138500-87-5) is a useful research chemical. |
Molecular Weight: | 363.21 |
Molecular Formula: | C21H22NO4B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)CN3C(=O)C4=CC=CC=C4C3=O |
InChI: | InChI=1S/C21H22BNO4/c1-20(2)21(3,4)27-22(26-20)15-11-9-14(10-12-15)13-23-18(24)16-7-5-6-8-17(16)19(23)25/h5-12H,13H2,1-4H3 |
InChI Key: | ZLSIUDAKDAXZRV-UHFFFAOYSA-N |
Boiling Point: | 504 °C at 760 mmHg |
Melting Point: | 166-171 °C |
Flash Point: | Not applicable |
Purity: | 95 % |
Density: | 1.23 g/cm3 |
Storage: | 2-8 °C |
MDL: | MFCD02179489 |
LogP: | 2.71990 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2014188173-A1 | Pyrazolopyrimidine derivatives useful as inhibitors of bruton's tyrosine kinase | 20130520 |
US-2009111994-A1 | Method for The Production of Losartan | 20050203 |
US-2005118209-A1 | Cosmetic or dermatological preparations for preventing damages to skin caused by peroxides | 20020118 |
Complexity: | 571 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 363.1641883 |
Formal Charge: | 0 |
Heavy Atom Count: | 27 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 363.1641883 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 55.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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