6-Amino-1-hydroxy-2,1-benzoxaborolane - CAS 117098-94-9
Catalog: |
BB003845 |
Product Name: |
6-Amino-1-hydroxy-2,1-benzoxaborolane |
CAS: |
117098-94-9 |
Synonyms: |
1-hydroxy-3H-2,1-benzoxaborol-6-amine; 1-hydroxy-3H-2,1-benzoxaborol-6-amine |
IUPAC Name: | 1-hydroxy-3H-2,1-benzoxaborol-6-amine |
Description: | 6-Amino-1-hydroxy-2,1-benzoxaborolane (CAS# 117098-94-9) is used as a reactant in the preparation of 2,1-benzoxaborole peptide isoquinoline derivatives as HCV NS3 protease inhibitors. It is also used as reactant in the synthesis of nanocarrier for chemomechanically driven guest delivery fueled by intracellular ATP. |
Molecular Weight: | 148.95 |
Molecular Formula: | C7H8NO2B |
Canonical SMILES: | B1(C2=C(CO1)C=CC(=C2)N)O |
InChI: | InChI=1S/C7H8BNO2/c9-6-2-1-5-4-11-8(10)7(5)3-6/h1-3,10H,4,9H2 |
InChI Key: | USCKQKQTFCBECF-UHFFFAOYSA-N |
Appearance: | Pale yellow powder |
MDL: | MFCD14584713 |
LogP: | 0.06770 |
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 |
CN-113209375-A | Preparation method and application of hydrogel based on arylborate crosslinking and having self-repairing and injectable properties | 20210421 |
WO-2021003501-A1 | Chemical compounds | 20190703 |
CN-111233908-A | Benzoxaborol-1-ol compound and preparation method and application thereof | 20190221 |
WO-2020051575-A1 | Boron containing compounds and their uses | 20180907 |
BR-112020010927-A2 | benzoxaborol compounds and formulations thereof | 20171130 |
PMID | Publication Date | Title | Journal |
22038802 | 20111101 | Label-free detection of enhanced saccharide binding at pH 7.4 to nanoparticulate benzoboroxole based receptor units | Journal of molecular recognition : JMR |
Complexity: | 155 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 149.0648087 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 149.0648087 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 55.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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Amines and Anilines
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