1-Boc-7-methoxyindole-2-boronic Acid - CAS 913835-81-1
Catalog: |
BB040148 |
Product Name: |
1-Boc-7-methoxyindole-2-boronic Acid |
CAS: |
913835-81-1 |
Synonyms: |
[7-methoxy-1-[(2-methylpropan-2-yl)oxy-oxomethyl]-2-indolyl]boronic acid; [7-methoxy-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid |
IUPAC Name: | [7-methoxy-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid |
Description: | 1-Boc-7-methoxyindole-2-boronic Acid (CAS# 913835-81-1) is a useful research chemical. |
Molecular Weight: | 291.11 |
Molecular Formula: | C14H18NO5B |
Canonical SMILES: | B(C1=CC2=C(N1C(=O)OC(C)(C)C)C(=CC=C2)OC)(O)O |
InChI: | InChI=1S/C14H18BNO5/c1-14(2,3)21-13(17)16-11(15(18)19)8-9-6-5-7-10(20-4)12(9)16/h5-8,18-19H,1-4H3 |
InChI Key: | JYRDIGLHLIDRNE-UHFFFAOYSA-N |
Boiling Point: | 475.9 °C at 760 mmHg |
Density: | 1.19 g/cm3 |
Appearance: | Yellow solid |
MDL: | MFCD08689542 |
LogP: | 1.11290 |
GHS Hazard Statement: | H315 (20%): 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 |
US-2019336609-A1 | C40-, C28-, and C-32-Linked Rapamycin Analogs as mTOR Inhibitors | 20180501 |
WO-2019212990-A1 | C40-, c28-, and c-32-linked rapamycin analogs as mtor inhibitors | 20180501 |
WO-2019212991-A1 | C26-linked rapamycin analogs as mtor inhibitors | 20180501 |
AU-2019262978-A1 | C40-, C28-, and C-32-linked rapamycin analogs as mTOR inhibitors | 20180501 |
AU-2019262979-A1 | C26-linked rapamycin analogs as mTOR inhibitors | 20180501 |
Complexity: | 384 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 291.1278028 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 291.1278028 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 80.9 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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