1-Boc-5-fluoroindole-2-boronic Acid - CAS 352359-23-0
Catalog: |
BB022547 |
Product Name: |
1-Boc-5-fluoroindole-2-boronic Acid |
CAS: |
352359-23-0 |
Synonyms: |
[5-fluoro-1-[(2-methylpropan-2-yl)oxy-oxomethyl]-2-indolyl]boronic acid; [5-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid |
IUPAC Name: | [5-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid |
Description: | 1-Boc-5-fluoroindole-2-boronic Acid (CAS# 352359-23-0) is a useful research chemical. |
Molecular Weight: | 279.07 |
Molecular Formula: | C13H15FNO4B |
Canonical SMILES: | B(C1=CC2=C(N1C(=O)OC(C)(C)C)C=CC(=C2)F)(O)O |
InChI: | InChI=1S/C13H15BFNO4/c1-13(2,3)20-12(17)16-10-5-4-9(15)6-8(10)7-11(16)14(18)19/h4-7,18-19H,1-3H3 |
InChI Key: | TZHYEXHDCFQZGG-UHFFFAOYSA-N |
Boiling Point: | 446.5 °C at 760 mmHg |
Density: | 1.24 g/cm3 |
Appearance: | Off-white solid |
LogP: | 1.24340 |
GHS Hazard Statement: | H315 (33.33%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P260, P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P314, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
EP-3116506-A1 | 2-pyrazine carboxamides as spleen tyrosine kinase inhibitors | 20140313 |
EP-3116506-B1 | 2-pyrazine carboxamides as spleen tyrosine kinase inhibitors | 20140313 |
US-2017071935-A1 | 2-pyrazine carboxamides as spleen tyrosine kinase inhibitors | 20140313 |
US-9775839-B2 | 2-pyrazine carboxamides as spleen tyrosine kinase inhibitors | 20140313 |
WO-2015138273-A1 | 2-pyrazine carboxamides as spleen tyrosine kinase inhibitors | 20140313 |
Complexity: | 374 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 279.1078163 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 279.1078163 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 71.7 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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