N-Boc-2-pyrroleboronic Acid

Inquiry

Molecular Formula:

C9H14NO4B

Molecular Weight:

211.02

CAS Number:

135884-31-0

Catalog Number:

135884-31-0

Product Information

Molecular Formula:

C9H14NO4B

Molecular Weight:

211.02

Description

N-Boc-2-pyrroleboronic Acid (CAS# 135884-31-0) is a compound useful in organic synthesis.

Synonyms

[1-[(2-methylpropan-2-yl)oxy-oxomethyl]-2-pyrrolyl]boronic acid; [1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrol-2-yl]boronic acid

IUPAC Name

[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrol-2-yl]boronic acid

Canonical SMILES

B(C1=CC=CN1C(=O)OC(C)(C)C)(O)O

InChI

InChI=1S/C9H14BNO4/c1-9(2,3)15-8(12)11-6-4-5-7(11)10(13)14/h4-6,13-14H,1-3H3

InChI Key

ZWGMJLNXIVRFRJ-UHFFFAOYSA-N

Boiling Point

361.4 °C at 760 mmHg

Melting Point

93-98 °C (dec.) (lit.)

Flash Point

Not applicable

Purity

≥ 98.0 % (T)

Density

1.13 g/cm³

Storage

−20 °C

LogP

-0.04890

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

211.1015881 g/mol

Monoisotopic Mass

211.1015881 g/mol

Topological Polar Surface Area

71.7Å²

Heavy Atom Count

Formal Charge

Complexity

239

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
CN-114031518-A	Benzylamine or benzyl alcohol derivative and application thereof	2020-12-08
CN-112358493-A	Micromolecular photothermal reagent based on boron-fluorine complex and preparation method and application thereof	2020-11-16
CN-112094285-A	Boron-nitrogen doped polycyclic conjugated aromatic hydrocarbon embedded with pyrrole unit and synthetic method thereof	2020-09-28
WO-2022028598-A1	Atr inhibitors and uses thereof	2020-08-07
WO-2021168074-A1	Macrocyclic compounds and uses thereof	2020-02-18
WO-2021143927-A1	Compound acting as bcr-abl inhibitor	2020-01-19
US-2021207274-A1	Alternating current electrolysis for use in organic synthesis	2020-01-03
WO-2021130638-A1	Diacylglycerol kinase modulating compounds	2019-12-24
CN-113004305-A	Macrocyclic compounds, their preparation and use	2019-12-19
WO-2021126693-A1	Gem-disubstituted piperidine melanocortin subtype-2 receptor (mc2r) antagonists and uses thereof	2019-12-18

Literatures

PMID	Publication Date	Title	Journal
21582429	2009-03-06	tert-Butyl 2-borono-1H-pyrrole-1-carboxyl-ate	Acta crystallographica. Section E, Structure reports online
21202573	2008-05-10	tert-Butyl 2-(dihydroxyboryl)pyrrole-1-carboxylate	Acta crystallographica. Section E, Structure reports online
17539689	2007-06-22	Application of a 6pi-1-azatriene electrocyclization strategy to the total synthesis of the marine sponge metabolite ageladine A and biological evaluation of synthetic analogues	The Journal of organic chemistry
16562912	2006-03-30	Total synthesis of ageladine A, an angiogenesis inhibitor from the marine sponge Agelas nakamurai	Organic letters
3821	1975-09-01	[Automatic method for determination of serum antistreptolysin]	Quaderni Sclavo di diagnostica clinica e di laboratorio
5826	1975-02-01	[The meaning of the normal values of the ejaculate for fertility]	Zeitschrift fur Hautkrankheiten

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The dilution calculator equation

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This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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