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2(1H)-Quinolinone, 3,4-dihydro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)- - 95%, high purity , CAS No.400620-72-6

COA

Grade & Purity:

≥95%

Cas Number: 400620-72-6
Molecular Weight: 273.1
PubChem CID: 59117187

In stock

Item Number

H184305

Grouped product items
SKU	Size	Availability	Price	Qty
H184305-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$491.90

Discover 2(1H)-Quinolinone, 3,4-dihydro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)- by Aladdin Scientific in 95% for only $491.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	400620-72-6 \| 6-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydroquinolin-2(1H)-one \| 2-Dioxaborolan-2-yl)quinolin-2(1H)-one \| (2-OXO-1,2,3,4-TETRAHYDROQUINOLIN-6-YL)BORONIC ACID PINACOL ESTER \| MFCD18072003 \| 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)
Specifications & Purity	≥95%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Quinolines and derivatives
    - Subclass Quinolones and derivatives

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Quinolines and derivatives
Subclass	Quinolones and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Hydroquinolones
Alternative Parents	Hydroquinolines Benzenoids Dioxaborolanes Boronic acid esters Secondary carboxylic acid amides Lactams Oxacyclic compounds Organic metalloid salts Azacyclic compounds Organonitrogen compounds Organometalloid compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Tetrahydroquinolone - Tetrahydroquinoline - Benzenoid - Boronic acid ester - 1,3,2-dioxaborolane - Boronic acid derivative - Carboxamide group - Lactam - Secondary carboxylic acid amide - Carboxylic acid derivative - Oxacycle - Azacycle - Organic metalloid salt - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic metalloid moeity - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as hydroquinolones. These are compounds containing a hydrogenated quinoline bearing a ketone group.
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	6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-1H-quinolin-2-one
INCHI	InChI=1S/C15H20BNO3/c1-14(2)15(3,4)20-16(19-14)11-6-7-12-10(9-11)5-8-13(18)17-12/h6-7,9H,5,8H2,1-4H3,(H,17,18)
InChIKey	WXZHYBMYYOORDG-UHFFFAOYSA-N
Smiles	B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)NC(=O)CC3
Isomeric SMILES	B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)NC(=O)CC3
Molecular Weight	273.1
Reaxy-Rn	14163361
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14163361&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	273.140 g/mol
XLogP3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	273.154 Da
Monoisotopic Mass	273.154 Da
Topological Polar Surface Area	47.600 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	394.000
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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