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| | Carbamic acid, 3-butenyl-, 1,1-dimethylethyl ester (9CI) Basic information |
| | Carbamic acid, 3-butenyl-, 1,1-dimethylethyl ester (9CI) Chemical Properties |
| Boiling point | 237.9±19.0 °C(Predicted) | | density | 0.929 g/mL at 25 °C | | refractive index | n20/D1.443 | | Fp | 101℃ | | storage temp. | 2-8°C | | pka | 12.80±0.46(Predicted) | | form | liquid | | Appearance | Colorless to light yellow Liquid | | InChI | 1S/C9H17NO2/c1-5-6-7-10-8(11)12-9(2,3)4/h5H,1,6-7H2,2-4H3,(H,10,11) | | InChIKey | YWSXTMBDIBZHBB-UHFFFAOYSA-N | | SMILES | CC(C)(C)OC(=O)NCCC=C |
| Hazard Codes | Xn,N | | Risk Statements | 22-50 | | Safety Statements | 61 | | RIDADR | UN 3082 9 / PGIII | | WGK Germany | 3 | | HS Code | 2924190090 | | Storage Class | 10 - Combustible liquids | | Hazard Classifications | Acute Tox. 4 Oral
Aquatic Acute 1
Aquatic Chronic 1 |
| | Carbamic acid, 3-butenyl-, 1,1-dimethylethyl ester (9CI) Usage And Synthesis |
| Synthesis | General procedure: synthesis of intermediate 62. tert-butyl but-3-en-1-yl carbamate. Triethylamine (1.80 mL, 12.98 mmol) was added to a solution of but-3-en-1-amine (700 mg, 9.84 mmol) in dichloromethane (10 mL). The mixture was cooled to 0 °C and di-tert-butyl dicarbonate (2.7 g, 12.37 mmol) was added batchwise under nitrogen protection. The reaction mixture was gradually warmed to room temperature and stirring was continued for 16 hours. Upon completion of the reaction, the solvent was removed by evaporation and the residue was redissolved in ether (20 mL). The organic phase was washed sequentially with saturated aqueous ammonium chloride solution (2 x 20 mL) and brine, dried over anhydrous sodium sulfate, filtered and concentrated to dryness to afford 1-(Boc-amino)-3-butene as a colorless oil (1.68 g, 100% yield).LRMS (m/z): 172 (M + 1)+. | | References | [1] Patent: WO2016/46390, 2016, A1. Location in patent: Page/Page column 62
[2] Patent: WO2012/9309, 2012, A1. Location in patent: Page/Page column 56
[3] Patent: WO2010/42850, 2010, A1. Location in patent: Page/Page column 50-51; 59
[4] Patent: WO2011/44501, 2011, A2. Location in patent: Page/Page column 58; 68
[5] Patent: WO2011/44498, 2011, A1. Location in patent: Page/Page column 63-64, 72-73 |
| | Carbamic acid, 3-butenyl-, 1,1-dimethylethyl ester (9CI) Preparation Products And Raw materials |
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