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
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 |
