| Company Name: |
Energy Chemical |
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400-0056266 |
| Email: |
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- MONO-BENZYL MALONATE
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- $1.00
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2019-07-06
- CAS:40204-26-0
- Min. Order: 1kg
- Purity: 98%
- Supply Ability: 200kg
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| | Mono-benzyl malonate Basic information |
| Product Name: | Mono-benzyl malonate | | Synonyms: | MALONIC ACID MONO-BENZYL ESTER;Propanedioic acid, Mono(phenylMethyl) ester;Mono-Benzyl Malonate 95%;3-oxo-3-phenylmethoxypropanoate;Propanedioic acid, 1-(phenylmethyl) ester;3-oxo-3-phenylmethoxypropanoic acid;Mono-benzyl malonate, 95%,;3-(benzyloxy)-3-oxopropanoic acid | | CAS: | 40204-26-0 | | MF: | C10H10O4 | | MW: | 194.18 | | EINECS: | | | Product Categories: | C10 to C11;Carbonyl Compounds;Esters | | Mol File: | 40204-26-0.mol |  |
| | Mono-benzyl malonate Chemical Properties |
| Melting point | 47-51 °C (lit.) | | Boiling point | 352.3±25.0 °C(Predicted) | | density | 1.0737 g/cm3 | | storage temp. | Inert atmosphere,Room Temperature | | solubility | Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly) | | pka | 2.82±0.32(Predicted) | | form | Powder or Crystalline Powder | | color | White to off-white | | InChI | 1S/C10H10O4/c11-9(12)6-10(13)14-7-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,12) | | InChIKey | CFLAHQSWDKNWPW-UHFFFAOYSA-N | | SMILES | OC(=O)CC(=O)OCc1ccccc1 |
| WGK Germany | 3 | | HS Code | 2917399590 | | Storage Class | 11 - Combustible Solids |
| | Mono-benzyl malonate Usage And Synthesis |
| Uses | Monobenzyl Malonate is a useful synthetic intermediate. It was used to synthesize constrained cyclic agonists of the cholecystokinin CCK-B receptor. It was also used to prepare aspartate transcarbamoylase inhibitors. | | Definition | ChEBI: A dicarboxylic acid monoester obtained by the formal condensation of one of the carboxy groups of malonic acid with benzyl alcohol. | | General Description | mono-Benzyl malonate can be synthesized by the reaction of Meldrum′s acid (2,2-dimethyl- 1,3-dioxane-4,6-dione) with benzyl alcohol. | | Synthesis | Meldrum acid (2.00 g, 13.8 mmol) and anhydrous acetonitrile (40 mL) were added to a flame-dried 150 mL pressure tube under argon protection. Benzyl alcohol (1.44 mL, 13.8 mmol) was added to the resulting solution and the reaction tube was sealed. The reaction mixture was refluxed overnight. Upon completion of the reaction, the solvent was removed by concentration under reduced pressure and the product was purified by column chromatography (eluent: 70/30 hexane/ethyl acetate) to afford the target product, monophenylmethyl malonate (1.28 g, 6.59 mmol), as a colorless oil in 48% yield. | | References | [1] Helvetica Chimica Acta, 2002, vol. 85, # 1, p. 288 - 319
[2] Heterocycles, 1993, vol. 35, # 2, p. 1205 - 1235
[3] Bioorganic and Medicinal Chemistry, 2010, vol. 18, # 3, p. 1143 - 1148
[4] Journal of Organometallic Chemistry, 2001, vol. 619, # 1-2, p. 179 - 193
[5] Bioorganic and Medicinal Chemistry Letters, 2015, vol. 25, # 21, p. 4933 - 4936 |
| | Mono-benzyl malonate Preparation Products And Raw materials |
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