Butyltrichloroacetimidate
tert-Butyl 2,2,2-trichloroacetimidate
CAS: 98946-18-0
Molecular Formula: C6H10Cl3NO
Butyltrichloroacetimidate - Names and Identifiers
| Name | tert-Butyl 2,2,2-trichloroacetimidate |
| Synonyms | TBTA Fmoc-NH Butyltrichloroacetimidate T-BUTYL TRICHLOROACETIMIDATE T-BUTYL 2,2,2-TRICHLOROACETIMIDATE N-(9-FLUORENYLMETHOXYCARBONYL)AMIDE TERT-BUTYL 2,2,2-TRICHLOROACETIMIDATE tert-Butyl 2,2,2-trichloroacetimidate O-TERT BUTYL-2,2,2-TRICHLOROACETIMIDATE tert-butyl 2,2,2-trichloroethanimidoate tert-butyl (1Z)-2,2,2-trichloroethanimidoate 2,2,2-Trichloroacetimidic acid tert-butyl ester |
| CAS | 98946-18-0 |
| EINECS | 629-631-5 |
| InChI | InChI=1/C6H10Cl3NO/c1-5(2,3)11-4(10)6(7,8)9/h10H,1-3H3 |
| InChIKey | CQXDYHPBXDZWBA-UHFFFAOYSA-N |
Butyltrichloroacetimidate - Physico-chemical Properties
| Molecular Formula | C6H10Cl3NO |
| Molar Mass | 218.51 |
| Density | 1.222 |
| Melting Point | 21°C(lit.) |
| Boling Point | 65°C11mm Hg(lit.) |
| Flash Point | 131°F |
| Solubility | Soluble in organic solvents, cyclo hexane. |
| Vapor Presure | 1.058mmHg at 25°C |
| Appearance | Liquid or Low Melting Crystalline Mass |
| Specific Gravity | 1.222 |
| Color | Clear colorless to pale yellow |
| BRN | 1770049 |
| pKa | 2.49±0.70(Predicted) |
| Storage Condition | 2-8°C |
| Sensitive | Moisture Sensitive |
| Refractive Index | n20/D 1.456(lit.) |
Butyltrichloroacetimidate - Risk and Safety
| Risk Codes | R10 - Flammable R22 - Harmful if swallowed R36/37/38 - Irritating to eyes, respiratory system and skin. |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S37/39 - Wear suitable gloves and eye/face protection S16 - Keep away from sources of ignition. S36/37 - Wear suitable protective clothing and gloves. S24/25 - Avoid contact with skin and eyes. |
| UN IDs | UN 1993 3/PG 3 |
| WGK Germany | 3 |
| FLUKA BRAND F CODES | 10-21 |
| TSCA | No |
| HS Code | 29252900 |
| Hazard Note | Irritant/Moisture Sensitive |
| Hazard Class | 3.2 |
| Packing Group | III |
Butyltrichloroacetimidate - Reference Information
| Application | tert-butyl trichloroacetylimine ester is also called 2,2, 2-trichloroacetylimine tert-butyl ester, which can be prepared by one-step reaction of trichloroacetonitrile and potassium tert-butoxide. There are reports that it can be used to prepare 4-chloro-2-bromobenzoic acid tert-butyl ester. |
| prepare | to trichloroacetonitrile (100g,0.69mol) in diethyl ether (69mL), add potassium tert-butoxide (69mL, 1M in tert-butanol) in diethyl ether (69mL) drop by drop, and maintain it at 0 ℃ 30 minutes. Then, the mixture is allowed to warm to room temperature during one hour, and then stirred for another hour under reflux heating. The mixture is cooled to room temperature and evaporated under reduced pressure to obtain oil. The oil was dissolved in hexane (140mL) and filtered to remove the potassium salt. The filtrate was evaporated under reduced pressure and the residual oil was purified by vacuum distillation. Fractions distilled at 2.4mm Hg and 40°C were collected to obtain the title compound (105g,69%). |
Last Update：2024-04-10 22:29:15
