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DIETHYL (BOC-AMINO)MALONATE manufacturers
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| | DIETHYL (BOC-AMINO)MALONATE Basic information |
| | DIETHYL (BOC-AMINO)MALONATE Chemical Properties |
| Boiling point | 218 °C (lit.) | | density | 1.079 g/mL at 25 °C (lit.) | | refractive index | n20/D 1.438(lit.) | | Fp | >230 °F | | storage temp. | Sealed in dry,2-8°C | | solubility | Chloroform, Ethyl Acetate, Methanol | | form | Oil | | pka | 9.97±0.46(Predicted) | | color | Colourless | | BRN | 5055305 | | Stability: | Below-40C | | Major Application | peptide synthesis | | InChI | InChI=1S/C12H21NO6/c1-6-17-9(14)8(10(15)18-7-2)13-11(16)19-12(3,4)5/h8H,6-7H2,1-5H3,(H,13,16) | | InChIKey | ULRLHEXGRUWQLQ-UHFFFAOYSA-N | | SMILES | C(OCC)(=O)C(NC(OC(C)(C)C)=O)C(OCC)=O |
| Hazard Codes | Xi | | Risk Statements | 36/37/38 | | Safety Statements | 26-36 | | WGK Germany | 3 | | HS Code | 2917198090 | | Storage Class | 10 - Combustible liquids | | Hazard Classifications | Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| | DIETHYL (BOC-AMINO)MALONATE Usage And Synthesis |
| Chemical Properties | Colourless Oil | | Uses | Diethyl (Boc-amino)malonate (cas# 102831-44-7) is a compound useful in organic synthesis. | | Synthesis | Diethyl aminomalonate (17.5 g, 0.1 mol) and triethylamine (20 g, 0.2 mol) were dissolved in 250 mL of dichloromethane in a three-necked flask under ice bath conditions. Subsequently, di-tert-butyl dicarbonate (26 g, 0.12 mol) was slowly added. The reaction mixture was gradually brought to room temperature and stirred continuously at this temperature and the progress of the reaction was monitored by thin layer chromatography (TLC). After completion of the reaction, the solvent was removed by distillation under reduced pressure. The residue was extracted with dichloromethane (200 mL × 3). The organic phases were combined, dried with anhydrous magnesium sulfate, and concentrated to give 27 g of the colorless oily product diethyl 2-Boc-aminomalonate in 98% yield. | | References | [1] Journal of Organic Chemistry, 1986, vol. 51, # 15, p. 2910 - 2913
[2] Patent: CN106946724, 2017, A. Location in patent: Paragraph 0027; 0028; 0034; 0040
[3] Bioorganic and Medicinal Chemistry, 2002, vol. 10, # 12, p. 3973 - 3979
[4] Journal of Medicinal Chemistry, 2009, vol. 52, # 9, p. 2909 - 2922
[5] Patent: US2003/65176, 2003, A1 |
| | DIETHYL (BOC-AMINO)MALONATE Preparation Products And Raw materials |
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