Boc-Asp-OtBu - ≥97% , CAS No.34582-32-6

CAS: 34582-32-6 Cat. No.: S136263 Fórmula: C₁₃H₂₃NO₆ Peso molecular: 289.325 Beilstein Registry Number: 4191700 Número EC: 840-509-2 PubChem CID: 7010517

GRADE & PURITY ≥97%

Synonyms

(s)-4-t-butoxy-3-(t-butoxycarbonylamino)-4-oxobutanoic acid | DS-1659 | NSC-5716 | AM20090540 | HY-W007573 | Boc-Asp-O-t-Butyl | 1-tert-Butyl N-Boc-L-aspartate | AKOS015892678 | 1-tert-Butyl N-(tert-Butoxycarbonyl)-L-aspartate | Boc-L-Aspartic acid 1-tert

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

(s)-4-t-butoxy-3-(t-butoxycarbonylamino)-4-oxobutanoic acid | DS-1659 | NSC-5716 | AM20090540 | HY-W007573 | Boc-Asp-O-t-Butyl | 1-tert-Butyl N-Boc-L-aspartate | AKOS015892678 | 1-tert-Butyl N-(tert-Butoxycarbonyl)-L-aspartate | Boc-L-Aspartic acid 1-tert

Especificaciones y pureza

≥97%

Mecanismos bioquímicos y fisiológicos

An aspartic acid derivative used in stereoselective synthesis

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

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Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 488196022
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488196022
• Sonrisas canónicas: CC(C)(C)OC(=O)C(CC(=O)O)NC(=O)OC(C)(C)C
• IUPAC Name: (3S)-4-[(2-methylpropan-2-yl)oxy]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoic acid
• InChIKey: RAUQRYTYJIYLTF-QMMMGPOBSA-N
• INCHI: 1S/C13H23NO6/c1-12(2,3)19-10(17)8(7-9(15)16)14-11(18)20-13(4,5)6/h8H,7H2,1-6H3,(H,14,18)(H,15,16)/t8-/m0/s1
• Isómeros SMILES: CC(C)(C)OC(=O)[C@H](CC(=O)O)NC(=O)OC(C)(C)C
• WGK Alemania: 3
• PubChem CID: 7010517
• Peso molecular: 289.325
• Beilstein: 4191700

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 Aspartic acid and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives
• Direct Parent: Aspartic acid and derivatives
• Alternative Parents: Alpha amino acid esters Fatty acid esters Branched fatty acids Dicarboxylic acids and derivatives Carbamate esters Carboxylic acid esters Carboxylic acids Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Aspartic acid or derivatives - Alpha-amino acid ester - Branched fatty acid - Fatty acid ester - Fatty acyl - Dicarboxylic acid or derivatives - Carbamic acid ester - Carboxylic acid ester - Carboxylic acid - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as aspartic acid and derivatives. These are compounds containing an aspartic acid or a derivative thereof resulting from reaction of aspartic 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

Propiedades químicas y físicas

• Solubilidad: Soluble in DMSO, Ethyl Acetate and Methanol
• Sensibilidad: Heat Sensitive
• Rotación específica [α]: -24° (C=1.5,MeOH)
• Punto de fusión (°C): 103 °C
• Peso molecular: 289.320 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 8
• Exact Mass: 289.153 Da
• Monoisotopic Mass: 289.153 Da
• Topological Polar Surface Area: 102.000 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 377.000
• 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