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(S)-(−)-N-(Trifluoroacetyl)pyrrolidine-2-carbonyl chloride solution - 0.1M in methylene chloride, high purity , CAS No.36724-68-2

COA

Grade & Purity:

0.1M in methylene chloride

Cas Number: 36724-68-2
Molecular Weight: 229.58
MDL number: MFCD00010418
PubChem CID: 3082449

In stock

Item Number

S465827

Grouped product items
SKU	Size	Availability	Price	Qty
S465827-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$98.90
S465827-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$347.90

Basic Description

Synonyms	NTPC \| 2-Pyrrolidinecarbonyl chloride, 1-(trifluoroacetyl)-, (S)- \| N-trifluoroacetyl-(S)-prolyl chloride \| (2S)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carbonyl chloride \| (S)-(-)-N-(Trifluoroacetyl)pyrrolidine-2-carbonyl solution \| AKOS005622541 \| n-trif
Specifications & Purity	0.1M in methylene chloride
Storage Temp	Store at 2-8°C
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.
Product Description	Description (S)-(−)-N-(Trifluoroacetyl)pyrrolidine-2-carbonyl chloride can be used as a chiral derivatization reagent:In the chiral separation of psychoactive, cathinone- and amphetamine-related drugs using GC-MS technique.In the estimation of cathinone related drug enantiomers in biological samples like urine and plasma using GC-MS technique.

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 Proline and derivatives

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	Proline and derivatives
Alternative Parents	Pyrrolidine carboxylic acids and derivatives N-acylpyrrolidines Tertiary carboxylic acid amides Azacyclic compounds Acyl chlorides Organopnictogen compounds Organonitrogen compounds Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
Molecular Framework	Aliphatic heteromonocyclic compounds
Substituents	Proline or derivatives - N-acylpyrrolidine - Pyrrolidine carboxylic acid or derivatives - Tertiary carboxylic acid amide - Pyrrolidine - Carboxamide group - Acyl chloride - Acyl halide - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Organic oxide - Organopnictogen compound - Carbonyl group - Alkyl halide - Alkyl fluoride - Organic oxygen compound - Aliphatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as proline and derivatives. These are compounds containing proline or a derivative thereof resulting from reaction of proline at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
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	(2S)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carbonyl chloride
INCHI	InChI=1S/C7H7ClF3NO2/c8-5(13)4-2-1-3-12(4)6(14)7(9,10)11/h4H,1-3H2/t4-/m0/s1
InChIKey	NUOYJPPISCCYDH-BYPYZUCNSA-N
Smiles	C1CC(N(C1)C(=O)C(F)(F)F)C(=O)Cl
Isomeric SMILES	C1C[C@H](N(C1)C(=O)C(F)(F)F)C(=O)Cl
PubChem CID	3082449
Molecular Weight	229.58

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	229.580 g/mol
XLogP3	1.400
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Exact Mass	229.012 Da
Monoisotopic Mass	229.012 Da
Topological Polar Surface Area	37.400 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	266.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
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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