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tert-butyl 4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridyl]-3,6-dihydro-2H-pyridine-1-carboxylate - 97%, high purity , CAS No.1534381-85-5

COA

Grade & Purity:

≥97%

Cas Number: 1534381-85-5
Molecular Weight: 386.29
PubChem CID: 90064889

In stock

Item Number

T629600

Grouped product items
SKU	Size	Availability	Price
T629600-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$162.90
T629600-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$259.90
T629600-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$433.90
T629600-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$649.90
T629600-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$3,251.90

Basic Description

Synonyms	1534381-85-5 \| tert-butyl 4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridyl]-3,6-dihydro-2H-pyridine-1-carboxylate \| tert-Butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3',6'-dihydro-[2,4'-bipyridine]-1'(2'H)-carboxylate \| tert-butyl 4-[
Specifications & Purity	≥97%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Pyridines and derivatives
    - Subclass Hydropyridines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Pyridines and derivatives
Subclass	Hydropyridines
Intermediate Tree Nodes	Not available
Direct Parent	Hydropyridines
Alternative Parents	Heteroaromatic compounds Dioxaborolanes Carbamate esters Boronic acid esters Oxacyclic compounds Organic metalloid salts Azacyclic compounds Organonitrogen compounds Organometalloid compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Hydropyridine - Boronic acid ester - 1,3,2-dioxaborolane - Carbamic acid ester - Heteroaromatic compound - Boronic acid derivative - Oxacycle - Azacycle - Organic metalloid salt - Organooxygen compound - Organonitrogen compound - Organic metalloid moeity - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as hydropyridines. These are compounds containing a hydrogenated pyridine ring (i.e. containing less than the maximum number of double bonds.).
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	tert-butyl 4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
INCHI	InChI=1S/C21H31BN2O4/c1-19(2,3)26-18(25)24-12-10-15(11-13-24)17-9-8-16(14-23-17)22-27-20(4,5)21(6,7)28-22/h8-10,14H,11-13H2,1-7H3
InChIKey	YIXTZLHKLYAMSC-UHFFFAOYSA-N
Smiles	B1(OC(C(O1)(C)C)(C)C)C2=CN=C(C=C2)C3=CCN(CC3)C(=O)OC(C)(C)C
Isomeric SMILES	B1(OC(C(O1)(C)C)(C)C)C2=CN=C(C=C2)C3=CCN(CC3)C(=O)OC(C)(C)C
PubChem CID	90064889
Molecular Weight	386.29

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	386.300 g/mol
XLogP3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	386.238 Da
Monoisotopic Mass	386.238 Da
Topological Polar Surface Area	60.900 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	610.000
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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