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Methyl Boc-L-Pyroglutamate - 98%, high purity , CAS No.108963-96-8

COA

Grade & Purity:

≥98%

Cas Number: 108963-96-8
Molecular Weight: 243.26
MDL number: MFCD06809720
PubChem CID: 10868485

In stock

Item Number

M124462

Grouped product items
SKU	Size	Availability	Price
M124462-1g	1g	3	$17.90
M124462-5g	5g	2	$76.90
M124462-25g	25g	2	$344.90
M124462-100g	100g	2	$1,239.90
M124462-500g	500g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$5,578.90

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Five-Membered Heterocyclic Compounds (2064) proline (67)

Basic Description

Synonyms	EN300-209244 \| (2S)-5-Oxo-pyrrolidine-1,2-dicarboxylic acid 1-tert-butyl ester 2-methyl ester \| MFCD06809720 \| N-(tert-Butoxycarbonyl)-L-pyroglutamic Acid Methyl Ester \| SCHEMBL540990 \| Methyl (2S)-1-(tert-butoxycarbonyl)pyroglutamate \| (S)-1-tert-butyl 2
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 Oxoprolines Pyrrolidine-2-ones Methyl esters Dicarboximides Carbamate esters Lactams Monocarboxylic acids and derivatives Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic heteromonocyclic compounds
Substituents	Alpha-amino acid ester - Proline or derivatives - Oxoproline - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - 2-pyrrolidone - Pyrrolidone - Dicarboximide - Methyl ester - Carbamic acid ester - Pyrrolidine - Carboxylic acid ester - Lactam - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Organic nitrogen compound - Carbonyl group - 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-methyl (2S)-5-oxopyrrolidine-1,2-dicarboxylate
INCHI	InChI=1S/C11H17NO5/c1-11(2,3)17-10(15)12-7(9(14)16-4)5-6-8(12)13/h7H,5-6H2,1-4H3/t7-/m0/s1
InChIKey	FNTAOUUEQHKLIU-ZETCQYMHSA-N
Smiles	CC(C)(C)OC(=O)N1C(CCC1=O)C(=O)OC
Isomeric SMILES	CC(C)(C)OC(=O)N1[C@@H](CCC1=O)C(=O)OC
WGK Germany	3
Molecular Weight	243.26
Reaxy-Rn	10068192
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10068192&ln=

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
G2417399	Certificate of Analysis	Apr 11, 2024	M124462
G2417400	Certificate of Analysis	Apr 11, 2024	M124462
G2417401	Certificate of Analysis	Apr 11, 2024	M124462
G1517294	Certificate of Analysis	Mar 09, 2023	M124462
D23031059	Certificate of Analysis	Jan 13, 2023	M124462
D23031146	Certificate of Analysis	Jan 13, 2023	M124462
D23031141	Certificate of Analysis	Jan 13, 2023	M124462
D23031121	Certificate of Analysis	Jan 13, 2023	M124462

Chemical and Physical Properties

Solubility	Soluble in Methanol
Sensitivity	Moisture sensitive,heat sensitive,light sensitive
Specific Rotation[α]	-32° (C=1,CHCl3)
Melt Point(°C)	68-72°C
Molecular Weight	243.260 g/mol
XLogP3	0.900
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	243.111 Da
Monoisotopic Mass	243.111 Da
Topological Polar Surface Area	72.900 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	344.000
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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