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

CAS: 68166-83-6 Cat. No.: T465742 Molecular Weight: 146.18 EC Number: 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

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

Specifications & Purity

≥97%, sum of enantiomers

Storage

Store at 2-8°C

Shipped In

Wet ice

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

Note

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

Purity

≥97%

Names and Identifiers

• Canonical Smiles: 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
• Isomeric SMILES: C[C@H](C(=O)OC(C)(C)C)O
• WGK Germany: 3
• PubChem CID: 10953655
• Molecular Weight: 146.18

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: 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
• Description: 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

Chemical and Physical Properties

• Flash Point(°F): 235.4 °F
• Flash Point(°C): 113 °C
• Molecular Weight: 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