1-Methylpyrrole-2-boronic Acid Pinacol Ester - CAS 850567-47-4
Catalog: |
BB037430 |
Product Name: |
1-Methylpyrrole-2-boronic Acid Pinacol Ester |
CAS: |
850567-47-4 |
Synonyms: |
1-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrole; 1-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrole |
IUPAC Name: | 1-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrole |
Description: | Reactant for: Cu assisted Suzuki-Miyaura coupling reactions. |
Molecular Weight: | 207.08 |
Molecular Formula: | C11H18NO2B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC=CN2C |
InChI: | InChI=1S/C11H18BNO2/c1-10(2)11(3,4)15-12(14-10)9-7-6-8-13(9)5/h6-8H,1-5H3 |
InChI Key: | OEQQEXKRORJZPR-UHFFFAOYSA-N |
Boiling Point: | 296.9 °C at 760 mmHg |
Melting Point: | 44-49 °C |
Flash Point: | 180.0 °F |
Density: | 0.99 g/cm3 |
Appearance: | Solid |
Storage: | −20 °C |
MDL: | MFCD06659917 |
LogP: | 1.32430 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
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 |
Publication Number | Title | Priority Date |
CN-113149968-A | Compound serving as ketohexokinase inhibitor and application thereof | 20200430 |
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JP-2019506415-A | Substituted 2- (heta) aryl-imidazolyl-carboxamides as pest control agents | 20160211 |
US-10544124-B2 | Substituted 2-(het)arylimidazolylcarboxyamides as pesticides | 20160211 |
Complexity: | 239 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 207.1430590 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 207.1430590 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 23.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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