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1-tert-butyl 2-ethyl (2R)-4,4-difluoropyrrolidine-1,2-dicarboxylate - 97%, high purity , CAS No.1523530-40-6

COA

Grade & Purity:

≥97%

Cas Number: 1523530-40-6
Molecular Weight: 279.28
PubChem CID: 74889458

In stock

Item Number

T635646

Grouped product items
SKU	Size	Availability	Price	Qty
T635646-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$243.90
T635646-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,213.90

Basic Description

Synonyms	Ethyl (R)-1-Boc-4,4-difluoropyrrolidine-2-carboxylate \| 1523530-40-6 \| 1-tert-butyl 2-ethyl (2R)-4,4-difluoropyrrolidine-1,2-dicarboxylate \| (R)-1-tert-Butyl 2-ethyl 4,4-difluoropyrrolidine-1,2-dicarboxylate \| 1-O-tert-butyl 2-O-ethyl (2R)-4,4-difluoropyr
Specifications & Purity	≥97%
Shipped In	Normal

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 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	Alpha-amino acid ester - Proline or derivatives - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine - Carbamic acid ester - Carboxylic acid ester - Azacycle - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Carbonyl group - 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

IUPAC Name	1-O-tert-butyl 2-O-ethyl (2R)-4,4-difluoropyrrolidine-1,2-dicarboxylate
INCHI	InChI=1S/C12H19F2NO4/c1-5-18-9(16)8-6-12(13,14)7-15(8)10(17)19-11(2,3)4/h8H,5-7H2,1-4H3/t8-/m1/s1
InChIKey	CMNMGOSQTYXYGN-MRVPVSSYSA-N
Smiles	CCOC(=O)C1CC(CN1C(=O)OC(C)(C)C)(F)F
Isomeric SMILES	CCOC(=O)[C@H]1CC(CN1C(=O)OC(C)(C)C)(F)F
PubChem CID	74889458
Molecular Weight	279.28

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	279.280 g/mol
XLogP3	2.200
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Exact Mass	279.128 Da
Monoisotopic Mass	279.128 Da
Topological Polar Surface Area	55.800 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	365.000
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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