4-Methyl-3,4-dihydro-2H-benzo[1,4]oxazine-7-boronic Acid Pinacol Ester - CAS 519054-54-7
Catalog: |
BB027645 |
Product Name: |
4-Methyl-3,4-dihydro-2H-benzo[1,4]oxazine-7-boronic Acid Pinacol Ester |
CAS: |
519054-54-7 |
Synonyms: |
4-methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydro-1,4-benzoxazine; 4-methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydro-1,4-benzoxazine |
IUPAC Name: | 4-methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydro-1,4-benzoxazine |
Description: | 4-Methyl-3,4-dihydro-2H-benzo[1,4]oxazine-7-boronic Acid Pinacol Ester (CAS# 519054-54-7) is a useful research chemical. |
Molecular Weight: | 275.15 |
Molecular Formula: | C15H22NO3B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)N(CCO3)C |
InChI: | InChI=1S/C15H22BNO3/c1-14(2)15(3,4)20-16(19-14)11-6-7-12-13(10-11)18-9-8-17(12)5/h6-7,10H,8-9H2,1-5H3 |
InChI Key: | QRAOZQGIUIDZQZ-UHFFFAOYSA-N |
Appearance: | Orange solid |
LogP: | 1.87940 |
GHS Hazard Statement: | H315 (100%): 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 |
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 |
TW-202039447-A | 3,3-difluoroallylamines or salts thereof and pharmaceutical compositions comprising the same | 20181214 |
CN-113330001-A | 3, 3-difluoroallylamine or salt thereof and pharmaceutical composition containing same | 20181214 |
US-11091479-B2 | Triazolopyridin-3-ones or their salts and pharmaceutical compositions comprising the same | 20181214 |
PMID | Publication Date | Title | Journal |
21757361 | 20110815 | Regulation of the Escherichia coli AtoSC two component system by synthetic biologically active 5;7;8-trimethyl-1;4-benzoxazine analogues | Bioorganic & medicinal chemistry |
Complexity: | 358 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 275.1692737 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 275.1692737 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 30.9 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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