BOC-CYCLOHEXYL-GLY-OH
Boc-L-Cyclohexylglycine
CAS: 109183-71-3
Molecular Formula: C13H23NO4
BOC-CYCLOHEXYL-GLY-OH - Names and Identifiers
| Name | Boc-L-Cyclohexylglycine |
| Synonyms | BOC-CHG-OH BOC-CHG-OH H2O BOC-CYCLOHEXYL-GLY-OH BOC-CYCLOHEXYL-GLYCINE Boc-L-Cyclohexylglycine Boc-(S)-2-Cyclohexylglycine N-BOC-2-CYCLOHEXYL-L-GLYCINE N-ALPHA-BUTOXYCARBONYL-L-CYCLOHEXYLGLYCINE N-(tert-butoxycarbonyl)-N-cyclohexylglycine N-ALPHA-BUTOXYCARBONYL-L-CYCLOHEXYLGLYCINE HYDRATE (S)-TERT-BUTOXYCARBONYLAMINO-CYCLOHEXYL-ACETIC ACID (2S)-[(tert-butoxycarbonyl)amino](cyclohexyl)ethanoic acid |
| CAS | 109183-71-3 |
| InChI | InChI=1/C13H23NO4/c1-13(2,3)18-12(17)14(9-11(15)16)10-7-5-4-6-8-10/h10H,4-9H2,1-3H3,(H,15,16) |
| InChIKey | QSUXZIPXYDQFCX-JTQLQIEISA-N |
BOC-CYCLOHEXYL-GLY-OH - Physico-chemical Properties
| Molecular Formula | C13H23NO4 |
| Molar Mass | 257.33 |
| Density | 1.111±0.06 g/cm3(Predicted) |
| Melting Point | 83°C(lit.) |
| Boling Point | 407.9±28.0 °C(Predicted) |
| Flash Point | 183.024°C |
| Water Solubility | Slightly soluble in water. |
| Vapor Presure | 0mmHg at 25°C |
| Appearance | White crystal |
| Color | Clear colorless to pale yellow |
| BRN | 5553687 |
| pKa | 4.01±0.10(Predicted) |
| Storage Condition | Keep in dark place,Sealed in dry,Room Temperature |
| Refractive Index | 1.5 |
| MDL | MFCD00133638 |
| Physical and Chemical Properties | Storage Conditions: 2-8 ℃ WGK Germany:3 |
BOC-CYCLOHEXYL-GLY-OH - Risk and Safety
| Safety Description | 24/25 - Avoid contact with skin and eyes. |
| WGK Germany | 3 |
| HS Code | 29242990 |
| Hazard Class | IRRITANT |
BOC-CYCLOHEXYL-GLY-OH - Reference Information
| Chemical properties | Boc-L-cyclohexylglycine has both acidic and basic functional groups in the molecule, can be ionized in water, and has strong hydrophilicity, But it is a non-polar amino acid, soluble in polar solvents, but hardly soluble in non-polar solvents, and has a higher boiling point and melting point, through the adjustment of the acidity and alkalinity of the aqueous solution, it can show different molecular forms. |
| use | Boc-L-cyclohexylglycine is the simplest amino acid, which participates in the synthesis of purines, porphyrins, creatine and glyoxylic acid. It can be combined with a variety of substances and excreted from bile or urine. As a nutritional supplement, it is widely used in medicine, food and other fields. In the pesticide industry, a new pesticide herbicide glyphosate can be produced by reacting the hydrolysate of phosphorus trichloride and formaldehyde with Boc-L-cyclohexylglycine. |
| synthesis method | 2-cyclopropyl-5H-pyrrolo [2,3-b] pyrazin-7-carboxylic acid ((S)-1-cyclohexyl-2-hydroxy-2-methylpropyl)-amide step 1(S)-aminocyclohexylacetic acid hydrochloride (1.0g,5.16 mmol) dissolved in 17 ml of 2:1, 4-dioxane: water and cooled in an ice bath. Sodium hydroxide solution (10.4 ml 1M aqueous solution) was slowly added to the reaction solution, and then solid sodium bicarbonate (0.43g,5.16 mmol) was added. Di-tert-butyl carbonate (1.68g,7.74 mmol) was added and the reaction mixture was stirred for 16 h. The reaction mixture was partially evaporated, then absorbed in ethyl acetate and water, and acidified with potassium bisulfate solution to pH 2. The layers were separated and the water layer was extracted twice with ethyl acetate. The bound ethyl acetate layer was washed with sodium chloride solution, dried with sodium sulfate and evaporated to obtain 1.52 grams of Boc-L-cyclohexylglycine. Figure Boc-L-Cyclohexylglycine synthesis route |
Last Update：2024-04-09 21:21:28
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