(R)-4-(2-Hydroxyethyl)-2,2-dimethyl-1,3-dioxolane - ≥94%(GC) , CAS No.70005-89-9

CAS: 70005-89-9 Cat. No.: R160923 Molecular Weight: 146.19 Beilstein Registry Number: 19(5)2,388 EC Number: 627-537-9

GRADE & PURITY ≥94%(GC)

Synonyms

(R)-2-(2,2-Dimethyl-1,3-dioxolan-4-yl)ethanol | 2-((4R)-2,2-dimethyl-1,3-dioxolan-4-yl)ethanol | (4R)-4-(2-Hydroxyethyl)-2,2-dimethyl-1,3-dioxolane, 96% | (R)-4-(2-Hydroxyethyl)-2,2-dimethyl-1,3-dioxolane | EN300-6946432 | 2-((R)-2,2-Dimethyl-[1,3]dioxola

Storage

Room temperature

Shipped In

Normal

Overview

Product Application:

(4R)-4-(2-Hydroxyethyl)-2,2-dimethyl-1,3-dioxolane can be used:①To introduce a chiral center selectively in the carbon chain C10 during the total synthesis of protectin D1.②As a starting material in the total synthesis of an anti-diabetic molecule cytopiloyne.③As a starting material in the preparation of 4-15N-amino-2-butane-1,2-diol, which is used to synthesize 15N-labeled oligodeoxynucleotides.

Specifications

Synonyms

(R)-2-(2, 2-Dimethyl-1, 3-dioxolan-4-yl)ethanol | 2-((4R)-2, 2-dimethyl-1, 3-dioxolan-4-yl)ethanol | (4R)-4-(2-Hydroxyethyl)-2, 2-dimethyl-1, 3-dioxolane, 96% | (R)-4-(2-Hydroxyethyl)-2, 2-dimethyl-1, 3-dioxolane | EN300-6946432 | 2-((R)-2, 2-Dimethyl-[1, 3]dioxola

Specifications & Purity

≥94%(GC)

Storage

Room temperature

Shipped In

Normal

Purity

≥94%(GC)

Names and Identifiers

• Pubchem Sid: 488197541
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488197541
• Canonical Smiles: CC1(OCC(O1)CCO)C
• IUPAC Name: 2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol
• InChIKey: YYEZYENJAMOWHW-ZCFIWIBFSA-N
• INCHI: 1S/C7H14O3/c1-7(2)9-5-6(10-7)3-4-8/h6,8H,3-5H2,1-2H3/t6-/m1/s1
• Isomeric SMILES: CC1(OC[C@H](O1)CCO)C
• WGK Germany: 3
• Molecular Weight: 146.19
• Beilstein: 19(5)2,388
• Reaxy-Rn: 1236630
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1236630&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Ethers
        • Level5 Acetals
          • Level6 Ketals

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Ethers
• Intermediate Tree Nodes: Acetals
• Direct Parent: Ketals
• Alternative Parents: 1,3-dioxolanes Oxacyclic compounds Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Ketal - Meta-dioxolane - Oxacycle - Organoheterocyclic compound - Hydrocarbon derivative - Primary alcohol - Alcohol - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as ketals. These are acetals derived from ketones by replacement of the oxo group by two hydrocarbyloxy groups R2C(OR)2 ( R not Hydrogen ). This term, once abandoned, has been reinstated as a subclass of acetals.
• 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

• Sensitivity: heat sensitive
• Refractive Index: 1.44
• Flash Point(°F): 222.8 °F
• Flash Point(°C): 106 °C
• Boil Point(°C): 110°C/25mmHg(lit.)
• Melt Point(°C): 207 °C
• Molecular Weight: 146.180 g/mol
• XLogP3: 0.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 146.094 Da
• Monoisotopic Mass: 146.094 Da
• Topological Polar Surface Area: 38.700 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 111.000
• 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