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

CAS: 1073355-04-0 Cat. No.: E179262 Molecular Weight: 387.3 PubChem CID: 46739036
AVAILABLE TO ORDER
GRADE & PURITY ≥95%
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
Storage
Room temperature
Shipped In
Normal
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
1g
E179262-1g
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$167.90

$251.90
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5g
E179262-5g
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$629.90

$944.90
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Why this grade

≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships Normal Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

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
Room temperature
Shipped In
Normal
Purity
≥95%
Names and Identifiers
Canonical SmilesB1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)C(=O)N3CCCC(C3)C(=O)OCC
IUPAC Nameethyl 1-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoyl]piperidine-3-carboxylate
InChIKeyNLVFARDMEGKIKR-UHFFFAOYSA-N
INCHI1S/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
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

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

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✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
ClassBenzene and substituted derivatives
SubclassBenzoyl derivatives
Intermediate Tree Nodes Not available
Direct Parent1-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 FrameworkAromatic 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
DescriptionThis 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
3D Structure
Interactive Chemical Structure Model





Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
Molecular Weight387.300 g/mol
XLogP3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass387.222 Da
Monoisotopic Mass387.222 Da
Topological Polar Surface Area65.099 Ų
Heavy Atom Count28
Formal Charge0
Complexity577.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Solution Calculators
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