1-Boc-5-methylindole-2-boronic Acid - CAS 475102-14-8
Catalog: |
BB026325 |
Product Name: |
1-Boc-5-methylindole-2-boronic Acid |
CAS: |
475102-14-8 |
Synonyms: |
[5-methyl-1-[(2-methylpropan-2-yl)oxy-oxomethyl]-2-indolyl]boronic acid; [5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid |
IUPAC Name: | [5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid |
Description: | 1-Boc-5-methylindole-2-boronic Acid (CAS# 475102-14-8) is a useful research chemical. |
Molecular Weight: | 275.11 |
Molecular Formula: | C14H18NO4B |
Canonical SMILES: | B(C1=CC2=C(N1C(=O)OC(C)(C)C)C=CC(=C2)C)(O)O |
InChI: | InChI=1S/C14H18BNO4/c1-9-5-6-11-10(7-9)8-12(15(18)19)16(11)13(17)20-14(2,3)4/h5-8,18-19H,1-4H3 |
InChI Key: | PEOOUPNYKOKTRH-UHFFFAOYSA-N |
Boiling Point: | 456.8 °C at 760 mmHg |
Density: | 1.16 g/cm3 |
Appearance: | Solid |
MDL: | MFCD04114580 |
LogP: | 1.41270 |
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 |
AU-2014356233-A1 | Piperidine derivatives for use in the treatment or prevention of psychiatric and neurological conditions | 20131127 |
US-10562882-B2 | Piperidine derivatives for use in the treatment or prevention of psychiatric and neurological conditions | 20131127 |
US-2017166553-A1 | Piperidine Derivatives for Use in the Treatment or Prevention of Psychiatric and Neurological Conditions | 20131127 |
WO-2015079224-A1 | Piperidine derivatives for use in the treatment or prevention of psychiatric and neurological conditions | 20131127 |
EP-2558577-A1 | Bi-functional complexes and methods for making and using such complexes | 20100416 |
Complexity: | 369 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 275.1328882 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 275.1328882 |
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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