4-(Boc-amino)phenylboronic Acid Pinacol Ester

Inquiry

Molecular Formula:

C17H26NO4B

Molecular Weight:

319.20

CAS Number:

330793-01-6

Catalog Number:

330793-01-6

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

Canonical 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

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

319.1954885 g/mol

Monoisotopic Mass

319.1954885 g/mol

Topological Polar Surface Area

56.8Å²

Heavy Atom Count

Formal Charge

Complexity

420

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

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

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The dilution calculator equation

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This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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