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4-((N-BOC-AMINO)METHYL)PHENYLBORONIC ACID PINACOL ESTER

4-((N-BOC-AMINO)METHYL)PHENYLBORONIC ACID PINACOL ESTER

Inquiry

Molecular Formula:

C18H28BNO4

Molecular Weight:

333.23

CAS Number:

330794-35-9

Catalog Number:

330794-35-9

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

Canonical 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

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

333.2111385 g/mol

Monoisotopic Mass

333.2111385 g/mol

Topological Polar Surface Area

56.8Å²

Heavy Atom Count

Formal Charge

Complexity

434

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-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

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Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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The dilution calculator equation

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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4-((N-BOC-AMINO)METHYL)PHENYLBORONIC ACID PINACOL ESTER

Product Information

Computed Properties

Patents

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