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tert-Butyl 4-(2-ethoxy-2-oxoethyl)-3，3-difluoropiperidine-1-carboxylate - ≥98%, high purity , CAS No.1334412-95-1

COA

Grade & Purity:

≥98%

Cas Number: 1334412-95-1
Molecular Weight: 307.33
MDL number: MFCD19686697
PubChem CID: 73977801

In stock

Item Number

T769997

Grouped product items
SKU	Size	Availability	Price	Qty
T769997-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$454.90
T769997-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$728.90

Basic Description

Specifications & Purity	≥98%
Storage Temp	Room temperature,Desiccated
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Piperidines
    - Subclass Piperidinecarboxylic acids and derivatives

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Piperidines
Subclass	Piperidinecarboxylic acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Piperidinecarboxylic acids
Alternative Parents	Carbamate esters Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
Molecular Framework	Aliphatic heteromonocyclic compounds
Substituents	Piperidinecarboxylic acid - Carbamic acid ester - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Azacycle - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl fluoride - Organic nitrogen compound - Carbonyl group - Organic oxide - Alkyl halide - Hydrocarbon derivative - Aliphatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as piperidinecarboxylic acids. These are compounds containing a piperidine ring which bears a carboxylic acid 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	tert-butyl 4-(2-ethoxy-2-oxoethyl)-3,3-difluoropiperidine-1-carboxylate
INCHI	InChI=1S/C14H23F2NO4/c1-5-20-11(18)8-10-6-7-17(9-14(10,15)16)12(19)21-13(2,3)4/h10H,5-9H2,1-4H3
InChIKey	KZWNIWBPQUOTFR-UHFFFAOYSA-N
Smiles	CCOC(=O)CC1CCN(CC1(F)F)C(=O)OC(C)(C)C
Isomeric SMILES	CCOC(=O)CC1CCN(CC1(F)F)C(=O)OC(C)(C)C
PubChem CID	73977801
Molecular Weight	307.33

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	307.330 g/mol
XLogP3	2.400
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	6
Exact Mass	307.16 Da
Monoisotopic Mass	307.16 Da
Topological Polar Surface Area	55.800 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	393.000
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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