3-(Aminomethyl)-1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborole - CAS 1093644-03-1
Catalog: |
BB002443 |
Product Name: |
3-(Aminomethyl)-1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborole |
CAS: |
1093644-03-1 |
Synonyms: |
(1-hydroxy-3H-2,1-benzoxaborol-3-yl)methanamine; (1-hydroxy-3H-2,1-benzoxaborol-3-yl)methanamine |
IUPAC Name: | (1-hydroxy-3H-2,1-benzoxaborol-3-yl)methanamine |
Description: | 3-(Aminomethyl)-1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborole (CAS# 1093644-03-1) is used as a reactant in the preparation of (benzofuranyl-3-carbonyl)(pyrrolidin-3-yl)pyrazolecarboxamide derivatives with tuberculostatic activity. |
Molecular Weight: | 162.98 |
Molecular Formula: | C8H10NO2B |
Canonical SMILES: | B1(C2=CC=CC=C2C(O1)CN)O |
InChI: | InChI=1S/C8H10BNO2/c10-5-8-6-3-1-2-4-7(6)9(11)12-8/h1-4,8,11H,5,10H2 |
InChI Key: | CIBFETVOAAGXSK-UHFFFAOYSA-N |
LogP: | 0.10440 |
Publication Number | Title | Priority Date |
US-2015080342-A1 | Benzoxaborole compounds and uses thereof | 20120414 |
WO-2013154759-A1 | Benzoxaborole compounds and uses thereof | 20120414 |
AU-2012327171-A1 | Boron-containing molecules | 20111121 |
AU-2012327171-B2 | Boron-containing molecules | 20111121 |
US-2013316943-A1 | Boron containing polybasic bacterial efflux pump inhibitors and therapeutic uses thereof | 20110207 |
PMID | Publication Date | Title | Journal |
22975201 | 20121201 | Time-dependent, reversible, oxaborole inhibition of Escherichia coli leucyl-tRNA synthetase measured with a continuous fluorescence assay | Analytical biochemistry |
Complexity: | 167 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 163.0804587 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 163.0804587 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 55.5 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
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Amines and Anilines
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