5-benzyloxy-1-Boc-indole-2-boronic acid

Product Information

Molecular Formula:
C20H22BNO5
Molecular Weight:
367.20
Description
5-benzyloxy-1-Boc-indole-2-boronic acid is an exceptional pharmaceutical intermediate, holds promising potential in the creation of innovative curative agents targeting a diverse range of ailments. With its distinctive molecular composition, this compound displays superb characteristics akin to medicaments, rendering it a valuable asset for biomedicine scientists dedicated to propelling drug exploration endeavors.
Synonyms
(5-(Benzyloxy)-1-(tert-butoxycarbonyl)-1H-indol-2-yl)boronic acid; [1-[(2-methylpropan-2-yl)oxycarbonyl]-5-phenylmethoxyindol-2-yl]boronic acid; 1-(TERT-BUTOXYCARBONYL)-5-(BENZYLOXY)-1H-INDOL-2-YL-2-BORONIC ACID; 5-Benzyloxy-1H-indole-2-boronic acid, N-BOC protected; 5-benzyloxyindole-2-boronic acid, boc protected; 1H-INDOLE-1-CARBOXYLIC ACID, 2-BORONO-5-(PHENYLMETHOXY)-, 1-(1,1-DIMETHYLETHYL) ESTER; [5-(Benzyloxy)-1-(tert-butoxycarbonyl)-1H-indol-2-yl]boronic acid; 5-Benzyloxyindole-2-boronic acid, N-BOC protected; 5-(benzyloxy)-1-(tert-butoxycarbonyl)-1h-indol-2-ylboronic acid; 5-(Benzyloxy)-1-(tert-butoxycarbonyl)-1H-indole-2-boronic acid; 1-(tert-Butyloxycarbonyl)-2-(dihydroxyboryl)-5-(benzyloxy)-1H-indole; {1-{[(1,1-dimethylethyl)oxy]carbonyl}-5-[(phenylmethyl)oxy]-1H-indol-2-yl}boronic acid
IUPAC Name
[1-[(2-methylpropan-2-yl)oxycarbonyl]-5-phenylmethoxyindol-2-yl]boronic acid
Canonical SMILES
B(C1=CC2=C(N1C(=O)OC(C)(C)C)C=CC(=C2)OCC3=CC=CC=C3)(O)O
InChI
InChI=1S/C20H22BNO5/c1-20(2,3)27-19(23)22-17-10-9-16(11-15(17)12-18(22)21(24)25)26-13-14-7-5-4-6-8-14/h4-12,24-25H,13H2,1-3H3
InChI Key
IQKGFXDPCFAYFP-UHFFFAOYSA-N
Flash Point
Not applicable

Safety Information

Hazards
H319
Precautionary Statement
P305 + P351 + P338

Computed Properties

Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
6
Exact Mass
367.1591030 g/mol
Monoisotopic Mass
367.1591030 g/mol
Topological Polar Surface Area
80.9Ų
Heavy Atom Count
27
Formal Charge
0
Complexity
503
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes

Patents

Publication Number Title Priority Date
EP-2558577-A1 Bi-functional complexes and methods for making and using such complexes 2010-04-16
US-2013281324-A1 Bi-functinal complexes and methods for making and using such complexes 2010-04-16
WO-2011127933-A1 Bi-functional complexes and methods for making and using such complexes 2010-04-16
AU-2008270784-A1 Farnesoid X receptor agonists 2007-07-02
CA-2690406-A1 Farnesoid x receptor agonists 2007-07-02
EP-2173174-A1 Farnesoid x receptor agonists 2007-07-02
JP-2010532363-A Farnesoid X receptor agonist 2007-07-02
KR-20100044810-A Panesoid X Receptor Agonists 2007-07-02
US-2011034507-A1 Farnesoid x receptor agonists 2007-07-02
WO-2009005998-A1 Farnesoid x receptor agonists 2007-07-02
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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