4-((N-BOC-AMINO)METHYL)PHENYLBORONIC ACID PINACOL ESTER
Product Information
Molecular Formula
C18H28BNO4
Molecular Weight
333.23
Description
4-((N-BOC-AMINO)METHYL)PHENYLBORONIC ACID PINACOL ESTER is a compound utilized in the field of biomedicine. This product can serve as a versatile tool in the development and synthesis of novel drugs for targeted therapy.
Synonyms
4-(TERT-BUTOXYCARBONYLAMINOMETHYL)PHENYLBORONIC ACID, PINACOL ESTER; 4-((N-BOC-AMINO)METHYL)PHENYLBORONIC ACID PINACOL ESTER
IUPAC Name
tert-butyl N-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]carbamate
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)CNC(=O)OC(C)(C)C
InChI
InChI=1S/C18H28BNO4/c1-16(2,3)22-15(21)20-12-13-8-10-14(11-9-13)19-23-17(4,5)18(6,7)24-19/h8-11H,12H2,1-7H3,(H,20,21)
InChI Key
CUDCEJRRWNIPDL-UHFFFAOYSA-N
Boiling Point
452°C at 760 mmHg
Flash Point
Not applicable
Purity
98%
Density
1.06g/cm3
Computed Properties
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
5
Exact Mass
333.2111385 g/mol
Monoisotopic Mass
333.2111385 g/mol
Topological Polar Surface Area
56.8Ų
Heavy Atom Count
24
Formal Charge
0
Complexity
434
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 |
|---|---|---|
| WO-2021127586-A1 | Protein tyrosine phosphatase degraders and methods of use thereof | 2019-12-20 |
| WO-2021088885-A1 | Compound targeting type i prmt, preparation method therefor, and application thereof | 2019-11-07 |
| WO-2020247804-A1 | Heterocycle substituted pyridine derivative antifungal agents | 2019-06-07 |
| WO-2020182666-A1 | Small molecule modulators of il-17 | 2019-03-08 |
| EP-3935051-A1 | Small molecule modulators of il-17 | 2019-03-08 |
| TW-202010742-A | Substituted benzofuran, benzopyrrole,benzothiophene, and structurally related complement inhibitors | 2018-04-06 |
| US-2019345135-A1 | Substituted benzofuran, benzopyrrole, benzothiophene, and structurally related complement inhibitors | 2018-04-06 |
| BR-112020019183-A2 | BENZOFURANO, BENZOPIRROL, BENZOTIOFENO REPLACED AND STRUCTURALLY RELATED COMPLEMENT INHIBITORS | 2018-04-06 |
| CN-112272553-A | Substituted benzofurans, benzopyrrole, benzothiophenes and structurally related complement inhibitors | 2018-04-06 |
| KR-20210005619-A | Substituted benzofuran, benzopyrrole, benzothiophene, and structurally related complement inhibitors | 2018-04-06 |
