1-TERT-BUTOXYCARBONYLINDOLE-5-BORONIC ACID, PINACOL ESTER

Product Information

Molecular Formula:
C19H26BNO4
Molecular Weight:
343.23
Description
1-Tert-butoxycarbonylindole-5-boronic Acid, Pinacol Ester is an organic compound widely used in medicinal chemistry research, particularly in the synthesis of specific drugs for cancer treatment. Its boronic acid and pinacol ester functionalities make it ideal for Suzuki coupling reactions.
Synonyms
5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1-BOC-INDOLE; 1-(TERT-BUTYLOXY-CARBONYL)-INDOLE-5-BORONIC ACID PINACOL ESTER; 1-TERT-BUTOXYCARBONYLINDOLE-5-BORONIC ACID, PINACOL ESTER; 1-BOC-5-INDOLEBORONIC ACID PINACOL ESTER; TERT-BUTYL 5-(4,4,5,5-TETRAMETH
IUPAC Name
tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole-1-carboxylate
Canonical SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)N(C=C3)C(=O)OC(C)(C)C
InChI
InChI=1S/C19H26BNO4/c1-17(2,3)23-16(22)21-11-10-13-12-14(8-9-15(13)21)20-24-18(4,5)19(6,7)25-20/h8-12H,1-7H3
InChI Key
WPSDWNFTICAMNI-UHFFFAOYSA-N
Melting Point
131-136 °C (lit.)
Flash Point
Not applicable
Purity
98%
Appearance
White to tan powder or crystals

Safety Information

Hazards
H413

Computed Properties

Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
3
Exact Mass
343.1954885 g/mol
Monoisotopic Mass
343.1954885 g/mol
Topological Polar Surface Area
49.7Ų
Heavy Atom Count
25
Formal Charge
0
Complexity
512
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
CN-113754682-A Compounds having macrocyclic structure and uses thereof 2020-06-04
KR-20200138086-A 1,3,4-Oxadiazole Derivative Compounds as Histone Deacetylase 6 Inhibitor, and the Pharmaceutical Composition Comprising the same 2019-05-31
WO-2020240492-A1 1,3,4-oxadiazole derivative compounds as histone deacetylase 6 inhibitor, and the pharmaceutical composition comprising the same 2019-05-31
TW-202110828-A 1,3,4-oxadiazole derivative compounds as histone deacetylase 6 inhibitor, and the pharmaceutical composition comprising the same 2019-05-31
AU-2020284167-A1 1,3,4-oxadiazole derivative compounds as histone deacetylase 6 inhibitor, and the pharmaceutical composition comprising the same 2019-05-31
CN-113924296-A 1,3, 4-oxadiazole derivative compounds as histone deacetylase 6 inhibitors and pharmaceutical compositions comprising the same 2019-05-31
KR-20170117023-A Heterocyclic compounds as biogenic amine transport modulators 2014-12-05
US-10144742-B2 Quinoxaline compounds and uses thereof 2014-04-18
US-2017174704-A1 Quinoxaline compounds and uses thereof 2014-04-18
WO-2015161142-A1 Quinoxaline compounds and uses thereof 2014-04-18
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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