(R)-tert-Butyl 2-hydroxypropanoate - ≥97%,sum of enantiomers , CAS No.68166-83-6

CAS: 68166-83-6 Cat. No.: T465742 Peso molecular: 146.18 Número EC: 851-863-2 PubChem CID: 10953655

GRADE & PURITY ≥97%, sum of enantiomers

Synonyms

(R)-tert-butyl 2-hydroxypropanoate | TERT-BUTYL (2R)-2-HYDROXYPROPANOATE | (R)-2-hydroxy-propionic acid tert-butyl ester | (R)-t-butyl-2-hydroxypropanoate | EN300-310624 | (+)-tert-Butyl D-lactate, >=99.0% (sum of enantiomers, GC) | AKOS017343714 | D-Lact

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

(R)-tert-butyl 2-hydroxypropanoate | TERT-BUTYL (2R)-2-HYDROXYPROPANOATE | (R)-2-hydroxy-propionic acid tert-butyl ester | (R)-t-butyl-2-hydroxypropanoate | EN300-310624 | (+)-tert-Butyl D-lactate, >=99.0% (sum of enantiomers, GC) | AKOS017343714 | D-Lact

Especificaciones y pureza

≥97%, sum of enantiomers

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

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Nota

Chiral building block; synthesis of depsipeptides by reaction with amino acid derivs.; Hydroxy-group activation and substitution reaction

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: CC(C(=O)OC(C)(C)C)O
• IUPAC Name: tert-butyl (2R)-2-hydroxypropanoate
• InChIKey: IXXMVXXFAJGOQO-RXMQYKEDSA-N
• INCHI: 1S/C7H14O3/c1-5(8)6(9)10-7(2,3)4/h5,8H,1-4H3/t5-/m1/s1
• Isómeros SMILES: C[C@H](C(=O)OC(C)(C)C)O
• WGK Alemania: 3
• PubChem CID: 10953655
• Peso molecular: 146.18

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Carboxylic acids and derivatives
      • Subclass Carboxylic acid derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Carboxylic acids and derivatives
• Subclass: Carboxylic acid derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Carboxylic acid esters
• Alternative Parents: Secondary alcohols Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Secondary alcohol - Carboxylic acid ester - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Alcohol - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as carboxylic acid esters. These are carboxylic acid derivatives in which the carbon atom from the carbonyl group is attached to an alkyl or an aryl moiety through an oxygen atom (forming an ester group).
• 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

• Punto de inflamación (°F): 235.4 °F
• Punto de inflamación (°C): 113 °C
• Peso molecular: 146.180 g/mol
• XLogP3: 0.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 146.094 Da
• Monoisotopic Mass: 146.094 Da
• Topological Polar Surface Area: 46.500 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 123.000
• 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