N-Boc-2-pyrroleboronic Acid
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
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
2
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
3
Exact Mass
211.1015881 g/mol
Monoisotopic Mass
211.1015881 g/mol
Topological Polar Surface Area
71.7Ų
Heavy Atom Count
15
Formal Charge
0
Complexity
239
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 |
|---|---|---|
| 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 |
