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3-[3-(Ethoxycarbonyl)piperidine-1-carbonyl]phenylboronic acid pinacol ester - 95%, high purity , CAS No.1073355-04-0

COA

Grade & Purity:

≥95%

Cas Number: 1073355-04-0
Molecular Weight: 387.3
PubChem CID: 46739036

In stock

Item Number

E179262

Grouped product items
SKU	Size	Availability	Price	Qty
E179262-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$200.90
E179262-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$700.90

Discover 3-[3-(Ethoxycarbonyl)piperidine-1-carbonyl]phenylboronic acid pinacol ester by Aladdin Scientific in 95% for only $200.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	F74341 \| ethyl 1-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoyl]piperidine-3-carboxylate \| DTXSID50674674 \| 1073355-04-0 \| YSB35504 \| Ethyl1-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoyl)piperidine-3-carboxylate \| 3-(3-(ethoxycarbonyl)p
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 Benzoyl derivatives

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzoyl derivatives
Intermediate Tree Nodes	Not available
Direct Parent	1-benzoylpiperidines
Alternative Parents	N-benzoylpiperidines Piperidinecarboxylic acids Benzamides Tertiary carboxylic acid amides Dioxaborolanes Boronic acid esters Tertiary amines Amino acids and derivatives Carboxylic acid esters Oxacyclic compounds Azacyclic compounds Organic metalloid salts Monocarboxylic acids and derivatives Carbonyl compounds Hydrocarbon derivatives Organic oxides Organometalloid compounds
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	1-benzoylpiperidine - N-benzoylpiperidine - Benzamide - Benzoic acid or derivatives - N-acyl-piperidine - Piperidinecarboxylic acid - Piperidine - 1,3,2-dioxaborolane - Tertiary carboxylic acid amide - Boronic acid ester - Amino acid or derivatives - Boronic acid derivative - Carboxylic acid ester - Tertiary amine - Carboxamide group - Carboxylic acid derivative - Organoheterocyclic compound - Organic metalloid salt - Monocarboxylic acid or derivatives - Azacycle - Oxacycle - Amine - Organic metalloid moeity - Organonitrogen compound - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as 1-benzoylpiperidines. These are compounds containing a piperidine ring substituted at the 1-position with a benzoyl 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	ethyl 1-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoyl]piperidine-3-carboxylate
INCHI	InChI=1S/C21H30BNO5/c1-6-26-19(25)16-10-8-12-23(14-16)18(24)15-9-7-11-17(13-15)22-27-20(2,3)21(4,5)28-22/h7,9,11,13,16H,6,8,10,12,14H2,1-5H3
InChIKey	NLVFARDMEGKIKR-UHFFFAOYSA-N
Smiles	B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)C(=O)N3CCCC(C3)C(=O)OCC
Isomeric SMILES	B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)C(=O)N3CCCC(C3)C(=O)OCC
PubChem CID	46739036
Molecular Weight	387.3

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	387.300 g/mol
XLogP3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Exact Mass	387.222 Da
Monoisotopic Mass	387.222 Da
Topological Polar Surface Area	65.099 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	577.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
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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