(+)-Dimethyl 2,3-O-isopropylidene-D-tartrate - ≥95%(GC) , CAS No.37031-30-4

CAS: 37031-30-4 Cat. No.: O133322 Peso molecular: 218.21 Beilstein Registry Number: 19(5)7,438

GRADE & PURITY ≥95%(GC)

Synonyms

(4S,5S)-Dimethyl2,2-dimethyl-1,3-dioxolane-4,5-dicarboxylate | SCHEMBL10266772 | (4S,5S)-Dimethyl 2,2-dimethyl-1,3-dioxolane-4,5-dicarboxylate | Dimethyl (4S,5S)-2,2-dimethyl-1,3-dioxolane-4,5-dicarboxylate | I0474 | J-640441 | Dimethyl (+)-2,3-O-Isopropy

Storage

Argon charged,Room temperature

Shipped In

Normal

Descripción general

Valuable building block for TADDOL chiral auxiliaries, dipyridine ligands, and threitols

Application：

+)-Dimethyl 2,3-O-isopropylidene-D-tartrate can be used as a starting material for the synthesis of:

Deuterated 1-deoxy-D-xylose.

C-terminal peptide -oxo-aldehydes using Fmoc solid-phase peptide synthesis methodology (SPPS).

Bis-Weinreb amide, a key intermediate for the preparation of myo-inositol analog via ring-closing metathesis.

Specifications

Sinónimos

(4S, 5S)-Dimethyl2, 2-dimethyl-1, 3-dioxolane-4, 5-dicarboxylate | SCHEMBL10266772 | (4S, 5S)-Dimethyl 2, 2-dimethyl-1, 3-dioxolane-4, 5-dicarboxylate | Dimethyl (4S, 5S)-2, 2-dimethyl-1, 3-dioxolane-4, 5-dicarboxylate | I0474 | J-640441 | Dimethyl (+)-2, 3-O-Isopropy

Especificaciones y pureza

≥95%(GC)

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥95%(GC)

Nombres e identificadores

• Pubchem Sid: 488191088
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488191088
• Sonrisas canónicas: CC1(OC(C(O1)C(=O)OC)C(=O)OC)C
• IUPAC Name: dimethyl (4S,5S)-2,2-dimethyl-1,3-dioxolane-4,5-dicarboxylate
• InChIKey: ROZOUYVVWUTPNG-WDSKDSINSA-N
• INCHI: 1S/C9H14O6/c1-9(2)14-5(7(10)12-3)6(15-9)8(11)13-4/h5-6H,1-4H3/t5-,6-/m0/s1
• Isómeros SMILES: CC1(O[C@@H]([C@H](O1)C(=O)OC)C(=O)OC)C
• WGK Alemania: 3
• Peso molecular: 218.21
• Beilstein: 19(5)7,438
• Reaxy-Rn: 3651755
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3651755&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Clase: Organooxygen compounds
• Subclass: Ethers
• Intermediate Tree Nodes: Acetals
• Direct Parent: Ketals
• Alternative Parents: Dicarboxylic acids and derivatives Methyl esters 1,3-dioxolanes Oxacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Ketal - Dicarboxylic acid or derivatives - Methyl ester - Meta-dioxolane - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic oxide - Hydrocarbon derivative - Carbonyl group - Aliphatic heteromonocyclic compound
• Descripción: 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

Propiedades químicas y físicas

• Sensibilidad: Moisture Sensitive
• Índice de refracción: 1.439
• Rotación específica [α]: +54°, neat
• Punto de inflamación (°F): 275 °F
• Punto de inflamación (°C): 135°C(lit.)
• Punto de ebullición (°C): 80-82 °C
• Peso molecular: 218.200 g/mol
• XLogP3: 0.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 218.079 Da
• Monoisotopic Mass: 218.079 Da
• Topological Polar Surface Area: 71.100 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 246.000
• 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