4-(Boc-amino)phenylboronic Acid Pinacol Ester
Product Information
Molecular Formula
C17H26NO4B
Molecular Weight
319.20
Description
4-(Boc-amino)phenylboronic Acid Pinacol Ester (CAS# 330793-01-6) is a useful research chemical.
Synonyms
N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamic acid tert-butyl ester; tert-butyl N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate
IUPAC Name
tert-butyl N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)NC(=O)OC(C)(C)C
InChI
InChI=1S/C17H26BNO4/c1-15(2,3)21-14(20)19-13-10-8-12(9-11-13)18-22-16(4,5)17(6,7)23-18/h8-11H,1-7H3,(H,19,20)
InChI Key
HSJNIOYPTSKQBD-UHFFFAOYSA-N
Boiling Point
421.6 °C at 760 mmHg
Melting Point
167-170 °C (lit.)
Flash Point
Not applicable
Purity
97 %
Density
1.06 g/cm3
LogP
3.40580
Safety Information
Precautionary Statement
P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word
Warning
Computed Properties
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
4
Exact Mass
319.1954885 g/mol
Monoisotopic Mass
319.1954885 g/mol
Topological Polar Surface Area
56.8Ų
Heavy Atom Count
23
Formal Charge
0
Complexity
420
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-2022023735-A1 | Cytotoxic agents | 2020-07-28 |
| CN-113754682-A | Compounds having macrocyclic structure and uses thereof | 2020-06-04 |
| WO-2021244609-A1 | Compound having macrocyclic structure and use thereof | 2020-06-04 |
| WO-2021239743-A1 | Il-17a modulators | 2020-05-27 |
| CN-113683629-A | Substituted heteroaryl compounds, compositions and uses thereof | 2020-05-18 |
| WO-2021233236-A1 | Substituted heteroaryl compound, and composition and use thereof | 2020-05-18 |
| WO-2021127586-A1 | Protein tyrosine phosphatase degraders and methods of use thereof | 2019-12-20 |
| US-2020397697-A1 | Formulations of tie-2 activators and methods of use thereof | 2019-06-24 |
| WO-2020195998-A1 | Explosive composition and method for manufacturing same, and method for manufacturing heteroatom-doped nanodiamond | 2019-03-26 |
| WO-2020195998-A9 | Explosive composition and method for manufacturing same, and method for manufacturing heteroatom-doped nanodiamond | 2019-03-26 |
