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3-Methoxycarbonyl-5-(cyclopropylmethoxy)phenylboronic acid, pinacol ester - 95%, high purity , CAS No.1218789-62-8

COA

Grade & Purity:

≥95%

Cas Number: 1218789-62-8
Molecular Weight: 332.2
PubChem CID: 46739691

In stock

Item Number

M180328

Grouped product items
SKU	Size	Availability	Price	Qty
M180328-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$172.90
M180328-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$622.90

Discover 3-Methoxycarbonyl-5-(cyclopropylmethoxy)phenylboronic acid, pinacol ester by Aladdin Scientific in 95% for only $172.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	1218789-62-8 \| Methyl 3-(cyclopropylmethoxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate \| 3-Methoxycarbonyl-5-(cyclopropylmethoxy)phenylboronic acid, pinacol ester \| 3-Methoxycarbonyl-5-(cyclopropylmethoxy)phenylboronic acid pinacol ester \| DTXSID906
Specifications & Purity	≥95%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Benzoic acids and derivatives

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzoic acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Benzoic acid esters
Alternative Parents	Phenoxy compounds Phenol ethers Benzoyl derivatives Alkyl aryl ethers Methyl esters Dioxaborolanes Boronic acid esters Oxacyclic compounds Organic metalloid salts Organometalloid compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Benzoate ester - Phenoxy compound - Benzoyl - Phenol ether - Alkyl aryl ether - Boronic acid ester - Methyl ester - 1,3,2-dioxaborolane - Boronic acid derivative - Carboxylic acid ester - Oxacycle - Organic metalloid salt - Carboxylic acid derivative - Organoheterocyclic compound - Ether - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organic oxygen compound - Organic metalloid moeity - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid.
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	methyl 3-(cyclopropylmethoxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
INCHI	InChI=1S/C18H25BO5/c1-17(2)18(3,4)24-19(23-17)14-8-13(16(20)21-5)9-15(10-14)22-11-12-6-7-12/h8-10,12H,6-7,11H2,1-5H3
InChIKey	JTVONZUKAQNKSL-UHFFFAOYSA-N
Smiles	B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC(=C2)OCC3CC3)C(=O)OC
Isomeric SMILES	B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC(=C2)OCC3CC3)C(=O)OC
PubChem CID	46739691
Molecular Weight	332.2

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

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	332.200 g/mol
XLogP3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Exact Mass	332.18 Da
Monoisotopic Mass	332.18 Da
Topological Polar Surface Area	54.000 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	458.000
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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