L-Glutamic acid di-tert-butyl ester hydrochloride - ≥97% , CAS No.32677-01-3

CAS: 32677-01-3 Cat. No.: G116986 Molecular Weight: 295.8 Beilstein Registry Number: 3573738 EC Number: 812-304-8

GRADE & PURITY ≥97%

Synonyms

glutamic acid di-t-butyl ester hydrochloride | H-Glu(OtBu)-OtBu.HCl | di-tert butyl L-glutamate hydrochloride | L-Glutamic acid di-tert-butyl ester HCl | NSC 94681 | Picosulfato sodico [INN-Spanish] | SCHEMBL18476 | Di-tert-butyl (2S)-2-aminopentanedioate

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Overview

Application

L-Glutamic acid di-tert-butyl ester may be useful in the synthesis of substance P antagonistic peptides.

Specifications

Synonyms

glutamic acid di-t-butyl ester hydrochloride | H-Glu(OtBu)-OtBu.HCl | di-tert butyl L-glutamate hydrochloride | L-Glutamic acid di-tert-butyl ester HCl | NSC 94681 | Picosulfato sodico [INN-Spanish] | SCHEMBL18476 | Di-tert-butyl (2S)-2-aminopentanedioate

Specifications & Purity

≥97%

Biochemical and Physiological Mechanisms

Glutamic acid di-tert butyl ester (GTBE) possesses convulsant properties in mice and rats. It might have unique pharmacological features that set it apart from other convulsant medications.L-Glutamic acid di-tert-butyl ester is C-terminal and R-chain bloc

Storage

Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 504757837
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504757837
• Canonical Smiles: CC(C)(C)OC(=O)CCC(C(=O)OC(C)(C)C)N.Cl
• IUPAC Name: ditert-butyl (2S)-2-aminopentanedioate;hydrochloride
• InChIKey: LFEYMWCCUAOUKZ-FVGYRXGTSA-N
• INCHI: 1S/C13H25NO4.ClH/c1-12(2,3)17-10(15)8-7-9(14)11(16)18-13(4,5)6;/h9H,7-8,14H2,1-6H3;1H/t9-;/m0./s1
• Isomeric SMILES: CC(C)(C)OC(=O)CC[C@@H](C(=O)OC(C)(C)C)N.Cl
• WGK Germany: 3
• Molecular Weight: 295.8
• Beilstein: 3573738
• Reaxy-Rn: 4028099
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4028099&ln=

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 Glutamic acid 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: Glutamic acid and derivatives
• Alternative Parents: Alpha amino acid esters Fatty acid esters Dicarboxylic acids and derivatives Carboxylic acid esters Organopnictogen compounds Organic oxides Monoalkylamines Hydrochlorides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Glutamic acid or derivatives - Alpha-amino acid ester - Fatty acid ester - Dicarboxylic acid or derivatives - Fatty acyl - Carboxylic acid ester - Organic nitrogen compound - Hydrochloride - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Organic oxide - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Amine - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as glutamic acid and derivatives. These are compounds containing glutamic acid or a derivative thereof resulting from reaction of glutamic acid at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
• External Descriptors: Not available

Data sources

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

Chemical and Physical Properties

• Solubility: Methanol (Slightly), Water (Slightly)
• Sensitivity: Air & Heat & Moisture sensitive
• Melt Point(°C): 118-124°C
• Molecular Weight: 295.800 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 8
• Exact Mass: 295.155 Da
• Monoisotopic Mass: 295.155 Da
• Topological Polar Surface Area: 78.600 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 299.000
• 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: 2

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