2-[5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]propan-2-ol - CAS 1319255-87-2
Catalog: |
BB056830 |
Product Name: |
2-[5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]propan-2-ol |
CAS: |
1319255-87-2 |
Synonyms: |
α,α-Dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyrimidinemethanol |
IUPAC Name: | 2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]propan-2-ol |
Description: | 2-[5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]propan-2-ol is a reactant in the preparation of aminobenzimidazole urea as an antibacterial agent. |
Molecular Weight: | 264.13 |
Molecular Formula: | C13H21BN2O3 |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CN=C(N=C2)C(C)(C)O |
InChI: | InChI=1S/C13H21BN2O3/c1-11(2,17)10-15-7-9(8-16-10)14-18-12(3,4)13(5,6)19-14/h7-8,17H,1-6H3 |
InChI Key: | JBKQHCAUZJBAND-UHFFFAOYSA-N |
References: | Grillot, A., et. al. J. Med. Chem., 57, 8792 (2014). |
GHS Hazard Statement: | H302 (33.33%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-114144415-A | Pyridopyrimidine derivative and pharmaceutical composition for preventing or treating PI3 kinase-associated disease comprising same as active ingredient | 20190520 |
KR-102338609-B1 | Pyrido-pyrimidin compound and pharmaceutical composition for use in preventing or treating PI3 kinase related diseases | 20190520 |
US-2021309658-A1 | Aryl compounds for the treatment and prophylaxis of bacterial infection | 20181127 |
CN-110831926-A | Novel tetralinyl urea derivatives | 20170427 |
EP-3617195-A1 | Novel tetrahydronaphthyl urea derivatives | 20170427 |
US-10399945-B2 | Tetrahydronaphthyl urea derivative | 20170427 |
US-10669239-B2 | Tetrahydronaphthyl urea derivative | 20170427 |
US-2019023657-A1 | Novel tetrahydronaphthyl urea derivative | 20170427 |
US-2019337897-A1 | Novel tetrahydronaphthyl urea derivative | 20170427 |
WO-2018199166-A1 | Novel tetrahydronaphthyl urea derivatives | 20170427 |
Complexity: | 323 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 264.1645227 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 264.1645227 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 64.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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