4-(Morpholine-4-carbonyl)phenylboronic Acid Pinacol Ester - CAS 656239-38-2
Catalog: |
BB032780 |
Product Name: |
4-(Morpholine-4-carbonyl)phenylboronic Acid Pinacol Ester |
CAS: |
656239-38-2 |
Synonyms: |
4-morpholinyl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanone; morpholin-4-yl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanone |
IUPAC Name: | morpholin-4-yl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanone |
Description: | 4-(Morpholine-4-carbonyl)phenylboronic Acid Pinacol Ester (CAS# 656239-38-2) is a useful research chemical. |
Molecular Weight: | 317.19 |
Molecular Formula: | C17H24NO4B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C(=O)N3CCOCC3 |
InChI: | InChI=1S/C17H24BNO4/c1-16(2)17(3,4)23-18(22-16)14-7-5-13(6-8-14)15(20)19-9-11-21-12-10-19/h5-8H,9-12H2,1-4H3 |
InChI Key: | ZOPBEWUNCNLYSD-UHFFFAOYSA-N |
Boiling Point: | 468.8 ℃ at 760 mmHg |
Melting Point: | 187-193 ℃ |
Flash Point: | Not applicable |
Purity: | 97 % |
Density: | 1.14 g/cm3 |
MDL: | MFCD05863913 |
LogP: | 1.39610 |
GHS Hazard Statement: | H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2020121261-A1 | 3,3-difluoroallylamines or salts thereof and pharmaceutical compositions comprising the same | 20181214 |
WO-2020121263-A1 | Triazolopyridin-3-ones or their salts and pharmaceutical compositions comprising the same | 20181214 |
US-2020223827-A1 | 3,3-difluoroallylamines or salts thereof and pharmaceutical compositions comprising the same | 20181214 |
US-2020223844-A1 | Triazolopyridin-3-ones or their salts and pharmaceutical compositions comprising the same | 20181214 |
CN-113195490-A | Triazolopyridin-3-one or salt thereof and pharmaceutical composition comprising same | 20181214 |
Complexity: | 424 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 317.1798384 |
Formal Charge: | 0 |
Heavy Atom Count: | 23 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 317.1798384 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 48 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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