| Identification | Back Directory | [Name]
2,2-DiMethyl-1,3-dioxolane-4-carboxylic acid | [CAS]
5736-06-1 | [Synonyms]
(rec.) 2,2-Dimethyl-1,3-dioxolane-4-carboxylic acid | [Molecular Formula]
C6H10O4 | [MDL Number]
MFCD09743879 | [MOL File]
5736-06-1.mol | [Molecular Weight]
146.14 |
| Chemical Properties | Back Directory | [Melting point ]
68 °C(Solv: ligroine (8032-32-4)) | [Boiling point ]
244.2±35.0 °C(Predicted) | [density ]
1.203±0.06 g/cm3(Predicted) | [storage temp. ]
2-8°C | [solubility ]
soluble in Dichloromethane; Acetone; Ethyl Acetate | [form ]
Oil | [pka]
3.12±0.40(Predicted) | [color ]
Colorless |
| Hazard Information | Back Directory | [Uses]
2,2-Dimethyl-1,3-dioxolane-4-carboxylic acid-13C3 is an intermediate for the synthesis of 2,3-DPG-13C3 Sodium Salt (D491993), which is a labeled isotope of 2,3-Diphospho-D-glyceric Acid, a metabolite formed in the metabolomes of normal and sickle cell erythrocytes. | [Synthesis]
2,2-Dimethyl-1,3-dioxolane-4-methanol (350 mg, 1.1 mmol) was used as a raw material and mixed with RuCl3 (318 mg, 1.1 mmol) in a solvent mixture of acetonitrile (10 mL) and water (5 mL). K2CO3 (455 mg, 3.3 mmol), trichloroisocyanuric acid (TCCA) and tetrabutylammonium bromide (TBAB) were subsequently added. The reaction mixture was stirred at room temperature for 3 hours. Upon completion of the reaction, the reaction was quenched with aqueous ammonium chloride and extracted with ethyl acetate. The organic layers were combined, dried over anhydrous sodium sulfate, and concentrated under reduced pressure to afford 2,2-dimethyl-1,3-dioxolane-4-carboxylic acid (450 mg, 75% yield). LC-MS analysis showed m/z = 147.4 [M + H]+. | [References]
[1] ACS Catalysis, 2018, vol. 8, # 7, p. 6738 - 6744
[2] Patent: JP2005/75784, 2005, A. Location in patent: Page/Page column 16-17; 22
[3] Angewandte Chemie - International Edition, 2009, vol. 48, # 3, p. 559 - 563
[4] Patent: WO2016/44770, 2016, A1. Location in patent: Page/Page column 711
[5] Patent: EP3342768, 2018, A1. Location in patent: Paragraph 0123 |
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Modachem Shanghai Co., Ltd
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Labnetwork lnc.
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Energy Chemical
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