Dimethyl L-(+)-Tartrate - ≥99%,≥99%(ee) , CAS No.608-68-4

CAS: 608-68-4 Cat. No.: D196350 Molecular Weight: 178.14 Beilstein Registry Number: 1726260 EC Number: 210-166-8

GRADE & PURITY ≥99%,≥99%(ee)

Synonyms

L-(+)-Tartaric acid, dimethyl ester | l-Tartaric acid, dimethyl ester | Dimethyl-L-tartrate | Dimethyl 2,3-dihydroxysuccinate # | (+)-DIMETHYL-L-TARTRATE | EINECS 210-166-8 | Dimethyl (R(R*,R*))-tartrate | dimethyl (2R,3R)-2,3-dihydroxybutanedioate | (+)-

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

L-(+)-Tartaric acid, dimethyl ester | l-Tartaric acid, dimethyl ester | Dimethyl-L-tartrate | Dimethyl 2, 3-dihydroxysuccinate # | (+)-DIMETHYL-L-TARTRATE | EINECS 210-166-8 | Dimethyl (R(R*, R*))-tartrate | dimethyl (2R, 3R)-2, 3-dihydroxybutanedioate | (+)-

Specifications & Purity

≥99%, ≥99%(ee)

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥99%, ≥99%(ee)

Names and Identifiers

• Pubchem Sid: 488181450
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488181450
• Canonical Smiles: COC(=O)C(C(C(=O)OC)O)O
• IUPAC Name: dimethyl (2R,3R)-2,3-dihydroxybutanedioate
• InChIKey: PVRATXCXJDHJJN-QWWZWVQMSA-N
• INCHI: 1S/C6H10O6/c1-11-5(9)3(7)4(8)6(10)12-2/h3-4,7-8H,1-2H3/t3-,4-/m1/s1
• Isomeric SMILES: COC(=O)[C@@H]([C@H](C(=O)OC)O)O
• WGK Germany: 3
• Molecular Weight: 178.14
• Beilstein: 1726260
• Reaxy-Rn: 1726253
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1726253&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Hydroxy acids and derivatives
      • Subclass Beta hydroxy acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Hydroxy acids and derivatives
• Subclass: Beta hydroxy acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Beta hydroxy acids and derivatives
• Alternative Parents: Fatty acid esters Monosaccharides Dicarboxylic acids and derivatives Methyl esters Secondary alcohols 1,2-diols Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Beta-hydroxy acid - Fatty acid ester - Dicarboxylic acid or derivatives - Fatty acyl - Monosaccharide - Methyl ester - 1,2-diol - Carboxylic acid ester - Secondary alcohol - Carboxylic acid derivative - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Alcohol - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as beta hydroxy acids and derivatives. These are compounds containing a carboxylic acid substituted with a hydroxyl group on the C3 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

Chemical and Physical Properties

• Solubility: Soluble in water.
• Sensitivity: Moisture sensitive.
• Specific Rotation[α]: [α]D20＝+20°～+23°(c=2.5,H2O)
• Flash Point(°F): 338°F
• Flash Point(°C): >170°C
• Boil Point(°C): 163 °C
• Melt Point(°C): 57-60°C
• Molecular Weight: 178.140 g/mol
• XLogP3: -1.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 178.048 Da
• Monoisotopic Mass: 178.048 Da
• Topological Polar Surface Area: 93.100 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 157.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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

References

1. Shaoping Ma, Fenfang Li, Liangliang Liu, Liping Liao, Li Chang, Zhijian Tan.  (2020)  Deep-eutectic solvents simultaneously used as the phase-forming components and chiral selectors for enantioselective liquid-liquid extraction of tryptophan enantiomers.  JOURNAL OF MOLECULAR LIQUIDS,      [PMID:] [10.1016/j.molliq.2020.114106]