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(2S,4R)-Methyl 4-fluoropyrrolidine-2-carboxylate hydrochloride - 98%, high purity , CAS No.58281-80-4

COA

Grade & Purity:

≥98%

Cas Number: 58281-80-4
Molecular Weight: 183.61
PubChem CID: 71777636
PubChem SID: 488202302

In stock

Item Number

M578760

Grouped product items
SKU	Size	Availability	Price
M578760-100mg	100mg	5	$70.90
M578760-250mg	250mg	5	$140.90
M578760-1g	1g	3	$500.90
M578760-5g	5g	2	$1,500.90

Basic Description

Synonyms	58281-80-4 \| (2S,4R)-Methyl 4-fluoropyrrolidine-2-carboxylate hydrochloride \| Methyl (2S,4R)-4-Fluoropyrrolidine-2-carboxylate Hydrochloride \| methyl (2S,4R)-4-fluoropyrrolidine-2-carboxylate;hydrochloride \| (2s,4r)-methyl 4-fluoropyrrolidine-2-carboxylate hcl \| MF
Specifications & Purity	≥98%
Storage Temp	Store at 2-8°C,Argon charged
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic acids and derivatives
  - Class Carboxylic acids and derivatives
    - Subclass Amino acids, peptides, and analogues
      - Level5 Amino acids and derivatives
        Level6 Alpha amino acids and derivatives
        Level7 Alpha amino acid esters

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Class	Carboxylic acids and derivatives
Subclass	Amino acids, peptides, and analogues
Intermediate Tree Nodes	Amino acids and derivatives - Alpha amino acids and derivatives
Direct Parent	Alpha amino acid esters
Alternative Parents	Proline and derivatives Pyrrolidine carboxylic acids Methyl esters Monocarboxylic acids and derivatives Dialkylamines Azacyclic compounds Organofluorides Organic oxides Hydrochlorides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
Molecular Framework	Aliphatic heteromonocyclic compounds
Substituents	Alpha-amino acid ester - Proline or derivatives - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine - Methyl ester - Carboxylic acid ester - Organoheterocyclic compound - Azacycle - Secondary amine - Secondary aliphatic amine - Monocarboxylic acid or derivatives - Hydrochloride - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Amine - Organic nitrogen compound - Alkyl halide - Alkyl fluoride - Aliphatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as alpha amino acid esters. These are ester derivatives of alpha amino acids.
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

Pubchem Sid	488202302
IUPAC Name	methyl (2S,4R)-4-fluoropyrrolidine-2-carboxylate;hydrochloride
INCHI	InChI=1S/C6H10FNO2.ClH/c1-10-6(9)5-2-4(7)3-8-5;/h4-5,8H,2-3H2,1H3;1H/t4-,5+;/m1./s1
InChIKey	SJLXDUCYXKAYFC-JBUOLDKXSA-N
Smiles	COC(=O)C1CC(CN1)F.Cl
Isomeric SMILES	COC(=O)[C@@H]1C[C@H](CN1)F.Cl
PubChem CID	71777636
Molecular Weight	183.61

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

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

Analytical Chart:

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8 results found

Lot Number	Certificate Type	Date	Item
D2324810	Certificate of Analysis	Mar 28, 2023	M578760
D2324799	Certificate of Analysis	Mar 28, 2023	M578760
D2324796	Certificate of Analysis	Mar 28, 2023	M578760
D2324805	Certificate of Analysis	Mar 28, 2023	M578760
D2324803	Certificate of Analysis	Mar 28, 2023	M578760
D2324815	Certificate of Analysis	Mar 28, 2023	M578760
D2324813	Certificate of Analysis	Mar 28, 2023	M578760
D2324804	Certificate of Analysis	Mar 28, 2023	M578760

Chemical and Physical Properties

Molecular Weight	183.610 g/mol
XLogP3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	183.046 Da
Monoisotopic Mass	183.046 Da
Topological Polar Surface Area	38.300 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	140.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
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	2

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