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1-Methyl-1H-pyrrole-2-boronic acid, pinacol ester , CAS No.850567-47-4

COA

Grade & Purity:

≥98.0%

Cas Number: 850567-47-4
Molecular Weight: 207.08
PubChem CID: 44118773

In stock

Item Number

M331946

Grouped product items
SKU	Size	Availability	Price
M331946-100mg	100mg	3	$9.90
M331946-250mg	250mg	3	$17.90
M331946-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$55.90
M331946-5g	5g	1	$187.90

View related series

azole (525) Borate ester (21)

Basic Description

Synonyms	1-METHYLPYRROLE-2-BORONIC ACID PINACOL ESTER \| 1-methyl-2-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrole \| 1-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrole \| 1-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl) pyrrole
Specifications & Purity	≥98.0%
Storage Temp	Store at -20°C,Argon charged
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Pyrroles
    - Subclass Substituted pyrroles
      - Level5 N-substituted pyrroles
        Level6 N-methylpyrroles

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Pyrroles
Subclass	Substituted pyrroles
Intermediate Tree Nodes	N-substituted pyrroles
Direct Parent	N-methylpyrroles
Alternative Parents	Heteroaromatic compounds Dioxaborolanes Boronic acid esters Oxacyclic compounds Organic metalloid salts Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organometalloid compounds Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	N-methylpyrrole - Heteroaromatic compound - 1,3,2-dioxaborolane - Boronic acid ester - Boronic acid derivative - Oxacycle - Azacycle - Organic metalloid salt - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic metalloid moeity - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as n-methylpyrroles. These are organic heterocyclic compounds containing a N-methylated pyrrole.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	1-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrole
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
InChIKey	OEQQEXKRORJZPR-UHFFFAOYSA-N
Smiles	B1(OC(C(O1)(C)C)(C)C)C2=CC=CN2C
Isomeric SMILES	B1(OC(C(O1)(C)C)(C)C)C2=CC=CN2C
Molecular Weight	207.08
Reaxy-Rn	17566698
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=17566698&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

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8 results found

Lot Number	Certificate Type	Date	Item
G2426494	Certificate of Analysis	Jul 18, 2024	M331946
G2426498	Certificate of Analysis	Jul 18, 2024	M331946
G2426493	Certificate of Analysis	Jul 18, 2024	M331946
G2426495	Certificate of Analysis	Jul 18, 2024	M331946
G2426497	Certificate of Analysis	Jul 18, 2024	M331946
G2426499	Certificate of Analysis	Jul 18, 2024	M331946
G2426500	Certificate of Analysis	Jul 18, 2024	M331946
G2426496	Certificate of Analysis	Jul 18, 2024	M331946

Chemical and Physical Properties

Melt Point(°C)	44-49° C
Molecular Weight	207.080 g/mol
XLogP3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	207.143 Da
Monoisotopic Mass	207.143 Da
Topological Polar Surface Area	23.400 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	239.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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