4-(Methoxycarbonyl)-2-methylphenylboronic Acid Pinacol Ester - CAS 473596-87-1
Catalog: |
BB026267 |
Product Name: |
4-(Methoxycarbonyl)-2-methylphenylboronic Acid Pinacol Ester |
CAS: |
473596-87-1 |
Synonyms: |
3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid methyl ester; methyl 3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate |
IUPAC Name: | methyl 3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate |
Description: | 4-(Methoxycarbonyl)-2-methylphenylboronic Acid Pinacol Ester (CAS# 473596-87-1) is a useful research chemical. |
Molecular Weight: | 276.14 |
Molecular Formula: | C15H21O4B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=C(C=C(C=C2)C(=O)OC)C |
InChI: | InChI=1S/C15H21BO4/c1-10-9-11(13(17)18-6)7-8-12(10)16-19-14(2,3)15(4,5)20-16/h7-9H,1-6H3 |
InChI Key: | RDBWYSWPXDSHOE-UHFFFAOYSA-N |
LogP: | 2.08080 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-110627775-A | Small molecule compound | 20191024 |
US-2020361939-A1 | Modulators of alpha-1 antitrypsin | 20190514 |
WO-2020114307-A1 | Isoxazole derivative, preparation method therefor and use thereof | 20181207 |
CN-112805279-A | Isoxazole derivative and preparation method and application thereof | 20181207 |
WO-2019213570-A1 | Cancer treatments targeting cancer stem cells | 20180504 |
Complexity: | 364 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 276.1532893 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 276.1532893 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 44.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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