methyl (2S)-4-(tert-butoxycarbonylamino)-2-(difluoromethoxy)butanoate - ≥97% , CAS No.1807916-70-6

CAS: 1807916-70-6 Cat. No.: M630627 Molecular Weight: 283.27 PubChem CID: 86775506

GRADE & PURITY ≥97%

Synonyms

1807916-70-6 | Methyl (2S)-4-{[(tert-butoxy)carbonyl]amino}-2-(difluoromethoxy)butanoate | (S)-Methyl 4-((tert-butoxycarbonyl)amino)-2-(difluoromethoxy)butanoate | METHYL (2S)-4-([(TERT-BUTOXY)CARBONYL]AMINO)-2-(DIFLUOROMETHOXY)BUTANOATE | C11H19F2NO5 | B

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

1807916-70-6 | Methyl (2S)-4-{[(tert-butoxy)carbonyl]amino}-2-(difluoromethoxy)butanoate | (S)-Methyl 4-((tert-butoxycarbonyl)amino)-2-(difluoromethoxy)butanoate | METHYL (2S)-4-([(TERT-BUTOXY)CARBONYL]AMINO)-2-(DIFLUOROMETHOXY)BUTANOATE | C11H19F2NO5 | B

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Canonical Smiles: CC(C)(C)OC(=O)NCCC(C(=O)OC)OC(F)F
• IUPAC Name: methyl (2S)-2-(difluoromethoxy)-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
• InChIKey: JJRIXCNNEPCVPN-ZETCQYMHSA-N
• INCHI: 1S/C11H19F2NO5/c1-11(2,3)19-10(16)14-6-5-7(8(15)17-4)18-9(12)13/h7,9H,5-6H2,1-4H3,(H,14,16)/t7-/m0/s1
• Isomeric SMILES: CC(C)(C)OC(=O)NCC[C@@H](C(=O)OC)OC(F)F
• PubChem CID: 86775506
• Molecular Weight: 283.27

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 Gamma amino acids 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
• Direct Parent: Gamma amino acids and derivatives
• Alternative Parents: Fatty acid esters Monosaccharides Methyl esters Carbamate esters Monocarboxylic acids and derivatives Dialkyl ethers Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Gamma amino acid or derivatives - Fatty acid ester - Monosaccharide - Fatty acyl - Methyl ester - Carbamic acid ester - Carboxylic acid ester - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Organohalogen compound - Hydrocarbon derivative - Alkyl halide - Organic oxide - Organic oxygen compound - Alkyl fluoride - Organic nitrogen compound - Carbonyl group - Organofluoride - Organonitrogen compound - Organooxygen compound - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as gamma amino acids and derivatives. These are amino acids having a (-NH2) group attached to the gamma carbon atom.
• 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