L-Threonic acid calcium salt CAS 70753-61-6
L-Threonic acid calcium salt Basic information
| Product Name: | L-Threonic acid calcium salt |
| Synonyms: | L-Threonic acid calcium salt in stock Factory;L-sutangsuangai;L-THREONIC ACID CALCIUM SALT;L-THREONIC ACID HEMICALCIUM SALT;CALCIUM L-THREONATE;L-Threonic Acid Calcium;L-threonic acid hemicalciumsalz;CalciuM (2R,3S)-2,3,4-trihydroxybutanoate |
| CAS: | 70753-61-6 |
| MF: | C8H14CaO10 |
| MW: | 310.27 |
| EINECS: | 615-158-1 |
| Product Categories: | Ca (Calcium) Compounds;Classes of Metal Compounds;Typical Metal Compounds;70753-61-6 |
| Mol File: | 70753-61-6.mol |
L-Threonic acid calcium salt Chemical Properties
| Melting point | >300 °C(lit.) |
| alpha | 16 º (c=1, H2O) |
| refractive index | 15 ° (C=1, H2O) |
| storage temp. | Inert atmosphere,Room Temperature |
| solubility | DMSO (Slightly), Water (Slightly, Heated) |
| form | Powder |
| color | Pale Brown |
| Optical Rotation | [α]20/D +16°, c = 1 in H2O |
| Water Solubility | Soluble in water. Sparingly soluble in methanol. |
| BRN | 5166008 |
| InChI | InChI=1/2C4H8O5.Ca.H2O/c2*5-1-2(6)3(7)4(8)9;;/h2*2-3,5-7H,1H2,(H,8,9);;1H2/q;;+2;/p-2/t2*2-,3+;;/s3 |
| InChIKey | ZJXGOFZGZFVRHK-BALCVSAKSA-L |
| SMILES | [C@@H](O)([C@@H](O)CO)C(=O)O[Ca]OC(=O)[C@H](O)[C@@H](O)CO.O |&1:0,2,13,15,r| |
| CAS DataBase Reference | 70753-61-6(CAS DataBase Reference) |
Safety Information
| Hazard Codes | Xi |
| Risk Statements | 36/37/38 |
| Safety Statements | 22-24/25-37/39-26 |
| WGK Germany | 3 |
| HS Code | 2918195000 |
| Storage Class | 11 - Combustible Solids |
| Uses | L-Threonic acid calcium salt is the salt of L-Threonic acid, a naturally occurring compound that can be found in the leaves of Pelargonium crispum. L-Threonic acid is also the degradation product of Dehydroascorbate (DHA), a metabolite of Vitamin C (A786990). |
| Synthesis | 50-81-7 70753-61-6 L-ascorbic acid (52.8 g, 0.3 mol) was dissolved in deionized water (410 mL). Calcium carbonate (60.06 g, 0.6 mol) was added to this solution and the reaction mixture was cooled to 0-5 °C. Under stirring, 50% (w/w) hydrogen peroxide solution (61.2 mL, 0.9 mol) was slowly added dropwise, controlling the reaction temperature at 5-20 °C. After the dropwise addition, the reaction mixture was continued to be stirred at room temperature for 16 hours. Subsequently, the reaction mixture was heated to 70-75 °C and maintained for 1 h until no oxygen was released. The reaction mixture was filtered while hot and the filter cake was washed with hot water at 50-60 °C (30 mL × 2). The filtrates were combined and concentrated under reduced pressure to about 20 mL at 55 °C. Methanol (250 mL) was added slowly and dropwise to the warmed concentrate (about 50 °C) until the solution became turbid, and then stirred for 12 h at room temperature. The precipitate was filtered and washed with methanol (30 mL × 3). The resulting solid was dried to constant weight at 60 °C (about 3 h) to give calcium L-threonate 45.2 g in 94.6% yield. The product was characterized by IR (KBr) and 1H-NMR (D2O, 400 MHz), and the data were consistent with those reported in the literature. |
| References | [1] Canadian Journal of Chemistry, 2003, vol. 81, # 8, p. 937 - 960 [2] Patent: US2003/232820, 2003, A1. Location in patent: Page 16 [3] Journal of Organic Chemistry, 2016, vol. 81, # 6, p. 2302 - 2307 [4] Journal of Organic Chemistry, 1985, vol. 50, # 19, p. 3462 - 3467 [5] Helvetica Chimica Acta, 2002, vol. 85, # 12, p. 4111 - 4153 |
L-Threonic acid calcium salt Preparation Products And Raw materials
| Raw materials | Ascorbic Acid-->Calcium carbonate-->Hydrogen peroxide-->Methanol |
