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tert-butyl 4-(2-ethoxy-2-oxo-ethyl)-4-fluoro-piperidine-1-carboxylate - 97%, high purity , CAS No.1235842-48-4

COA

Grade & Purity:

≥97%

Cas Number: 1235842-48-4
Molecular Weight: 289.34
MDL number: MFCD18073352
PubChem CID: 59410709

In stock

Item Number

T627626

Grouped product items
SKU	Size	Availability	Price
T627626-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$110.90
T627626-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$185.90
T627626-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$370.90
T627626-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$555.90
T627626-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,781.90

Basic Description

Synonyms	1235842-48-4 \| tert-butyl 4-(2-ethoxy-2-oxoethyl)-4-fluoropiperidine-1-carboxylate \| 4-Piperidineacetic acid, 1-[(1,1-diMethylethoxy)carbonyl]-4-fluoro-, ethyl ester \| SCHEMBL1742547 \| MFCD18073352 \| SB13869 \| AS-53332 \| CS-0048263 \| P16337 \| 1-Boc-4-(2-e
Specifications & Purity	≥97%
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 Tertiary amines Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
Molecular Framework	Aliphatic heteromonocyclic compounds
Substituents	Piperidinecarboxylic acid - Carbamic acid ester - Amino acid or derivatives - Carboxylic acid ester - Tertiary amine - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Azacycle - Alkyl fluoride - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Amine - Alkyl halide - 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)-4-fluoropiperidine-1-carboxylate
INCHI	InChI=1S/C14H24FNO4/c1-5-19-11(17)10-14(15)6-8-16(9-7-14)12(18)20-13(2,3)4/h5-10H2,1-4H3
InChIKey	LVJPCDFEDFIYAP-UHFFFAOYSA-N
Smiles	CCOC(=O)CC1(CCN(CC1)C(=O)OC(C)(C)C)F
Isomeric SMILES	CCOC(=O)CC1(CCN(CC1)C(=O)OC(C)(C)C)F
PubChem CID	59410709
Molecular Weight	289.34

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	289.340 g/mol
XLogP3	2.000
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Exact Mass	289.169 Da
Monoisotopic Mass	289.169 Da
Topological Polar Surface Area	55.800 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	357.000
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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