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3-Methoxycarbonylphenylboronic Acid Pinacol Ester

3-Methoxycarbonylphenylboronic Acid Pinacol Ester

Name: 3-Methoxycarbonylphenylboronic Acid Pinacol Ester
Brand: BOC Sciences
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Molecular Formula:

C14H19O4B

Molecular Weight:

262.11

CAS Number:

480425-35-2

Catalog Number:

480425-35-2

Product Information

Molecular Formula:

C14H19O4B

Molecular Weight:

262.11

Description

3-Methoxycarbonylphenylboronic Acid Pinacol Ester (CAS# 480425-35-2) is used in the preparation of non-noviosylated coumermycin A1 analogs targeting heat shock protein 90 dimer with dimeric inhibitors.

Synonyms

3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid methyl ester; methyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate

IUPAC Name

methyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate

Canonical SMILES

B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)C(=O)OC

InChI

InChI=1S/C14H19BO4/c1-13(2)14(3,4)19-15(18-13)11-8-6-7-10(9-11)12(16)17-5/h6-9H,1-5H3

InChI Key

JBJGSVBGUBATNH-UHFFFAOYSA-N

Boiling Point

364.3 °C at 760 mmHg

Melting Point

91-95 °C (lit.)

Flash Point

Not applicable

Purity

97 %

Density

1.08 g/cm³

LogP

1.77240

Safety Information

Precautionary Statement

P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501

Signal Word

Warning

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

262.1376392 g/mol

Monoisotopic Mass

262.1376392 g/mol

Topological Polar Surface Area

44.8Å²

Heavy Atom Count

Formal Charge

Complexity

337

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-2021221445-A1	Compound as ubr box domain ligand	2020-04-27
WO-2021203007-A1	Substituted 5-hydroxyindole compounds as modulators of alpha-1 antitrypsin	2020-04-03
WO-2021066559-A1	N-(1h-imidazol-2-yl)benzamide compound and pharmaceutical composition comprising the same as active ingredient	2019-10-02
US-2020361939-A1	Modulators of alpha-1 antitrypsin	2019-05-14
WO-2020247160-A1	Condensed tryciclic pyrroles as alpha-1 antitrypsin modulators	2019-05-14
AU-2020286424-A1	Condensed tricyclic pyrroles as alpha-1 antitrypsin Modulators	2019-05-14
CN-114096542-A	Condensed tricyclic pyrroles as alpha-1 antitrypsin modulators	2019-05-14
WO-2020210366-A1	Condensed azines for ep300 or cbp modulation and indications therefor	2019-04-09
US-2021315872-A1	COMPOUNDS AND METHODS FOR EP300 or CBP MODULATION AND INDICATIONS THEREFOR	2019-04-09
AU-2020271836-A1	Condensed azines for EP300 or CBP modulation and indications therefor	2019-04-09

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