Dimethyl (-)-2,3-O-Isopropylidene-L-tartrate - ≥95%(GC) , CAS No.37031-29-1

CAS: 37031-29-1 Cat. No.: D155495 Peso molecular: 218.21 Beilstein Registry Number: 15406 Número EC: 609-324-2

GRADE & PURITY ≥95%(GC)

Synonyms

Dimethyl (4R,5R)-2,2-dimethyl-1,3-dioxolane-4,5-dicarboxylate | I0447 | 1,3-Dioxolane-4,5-dicarboxylic acid, 2,2-dimethyl-, 4,5-dimethyl ester, (4R,5R)-rel- | InChI=1/C9H14O6/c1-9(2)14-5(7(10)12-3)6(15-9)8(11)13-4/h5-6H,1-4H3 | (4R,5R)-Dimethyl 2,2-dimeth

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Descripción general

(-)-Dimethyl 2,3-O-isopropylidene-L-tartrate may be used as a starting material in the total synthesis of (+)-migrastatin and also in the synthesis of a structural analog of S-ribosylhomocysteinase (LuxS), which acts as a potent competitive inhibitor against LuxS.

Specifications

Sinónimos

Dimethyl (4R, 5R)-2, 2-dimethyl-1, 3-dioxolane-4, 5-dicarboxylate | I0447 | 1, 3-Dioxolane-4, 5-dicarboxylic acid, 2, 2-dimethyl-, 4, 5-dimethyl ester, (4R, 5R)-rel- | InChI=1/C9H14O6/c1-9(2)14-5(7(10)12-3)6(15-9)8(11)13-4/h5-6H, 1-4H3 | (4R, 5R)-Dimethyl 2, 2-dimeth

Especificaciones y pureza

≥95%(GC)

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice

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Pureza

≥95%(GC)

Nombres e identificadores

• Pubchem Sid: 504759858
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504759858
• Sonrisas canónicas: CC1(OC(C(O1)C(=O)OC)C(=O)OC)C
• IUPAC Name: dimethyl (4R,5R)-2,2-dimethyl-1,3-dioxolane-4,5-dicarboxylate
• InChIKey: ROZOUYVVWUTPNG-PHDIDXHHSA-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-/m1/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: 15406
• 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: n20/D 1.439
• Rotación específica [α]: [α]20/D -54°, neat
• Punto de inflamación (°F): 230 °F
• Punto de inflamación (°C): 110 °C
• Punto de ebullición (°C): 150 °C/19 mmHg
• 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

Referencias

1. Jia Cheng Qian, Dan Liu, Li Ping Lin, Wen Jing Zhu, Ren Xiang Tan.  (2022)  Minor bioactive indoles from kimchi mirror the regioselectivity in indole-3-carbinol oligomerization.  FOOD CHEMISTRY,      [PMID:35245758] [10.1016/j.foodchem.2022.132571]

2. Wen Jing Zhu, Li Ping Lin, Dan Liu, Jia Cheng Qian, Bei Bei Zhou, Dan Dan Yuan, Ren Xiang Tan.  (2021)  Pharmacophore-inspired discovery of FLT3 inhibitor from kimchi.  FOOD CHEMISTRY,      [PMID:34062461] [10.1016/j.foodchem.2021.130139]

3. Heng Yang, Weihua Li, Xiaoyan Liu, Ang Liu, Peng Hang, Rui Ding, Tianyu Li, Yumei Zhang, Wei Wang, Chuansheng Xiong.  (2019)  Preparation of corrosion inhibitor loaded zeolites and corrosion resistance of carbon steel in simulated concrete pore solution.  CONSTRUCTION AND BUILDING MATERIALS,      [PMID:] [10.1016/j.conbuildmat.2019.07.141]

4. Jiqin Chen, Chunhui Shen, Shanjun Gao, Yuan Yuan, Xuechao Ren.  (2017)  Novel imidazole-grafted hybrid anion exchange membranes based on poly(2,6-dimethyl-1,4-phenylene oxide) for fuel cell applications.  JOURNAL OF APPLIED POLYMER SCIENCE,  135  (12): (46034).  [PMID:] [10.1002/app.46034]