467442-20-2
(2S)-2-(tert-butoxycarbonylamino)-4,4-difluoro-butanoic acid
CAS: 467442-20-2
Molecular Formula: C9H15F2NO4
467442-20-2 - Names and Identifiers
| Name | (2S)-2-(tert-butoxycarbonylamino)-4,4-difluoro-butanoic acid |
| Synonyms | LogP (S)-2-(tert-butoxycarbonylamino)-4,4-difluorobutanoic acid (2S)-2-(tert-butoxycarbonylamino)-4,4-difluoro-butanoic acid Butanoic acid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-4,4-difluoro-, (2S)- |
| CAS | 467442-20-2 |
| InChI | InChI=1/C9H15F2NO4/c1-9(2,3)16-8(15)12-5(7(13)14)4-6(10)11/h5-6H,4H2,1-3H3,(H,12,15)(H,13,14)/t5-/m0/s1 |
467442-20-2 - Physico-chemical Properties
| Molecular Formula | C9H15F2NO4 |
| Molar Mass | 239.22 |
| Density | 1.222 |
| Boling Point | 348.1±42.0 °C(Predicted) |
| Flash Point | 164.3°C |
| Vapor Presure | 8.96E-06mmHg at 25°C |
| pKa | 3.48±0.10(Predicted) |
| Refractive Index | 1.433 |
467442-20-2 - Introduction
(2S)-2-(tert-butoxycarbonylamino)-4,4-difluoro-butanoic acid is an organic compound with the chemical formula C10H15F2NO4. The following is a description of the properties, uses, preparation and safety information of the compound:
Nature:
-Appearance: White crystalline solid
-Solubility: Soluble in polar solvents such as ethanol, dimethyl sulfoxide and dimethylformamide, insoluble in non-polar solvents such as n-heptane and cyclohexane.
-Melting point: about 105-110°C
-Symbol:(S)-2-N-Boc-amino-4,4-difluorobutyric acid
Use:
(2S)-2-(tert-butoxycarbonylamino)-4,4-difluoro-butyanoic acid is often used as a reagent, intermediate or chiral stereo element in drug synthesis. It can be prepared by reacting a carboxylating agent with an amine.
Preparation Method:
(2S)-2-(tert-butoxycarbonylamino)-4,4-difluoro-butanoic acid can be prepared by the following steps:
1. t-butanol reacts with (2S)-4,4-difluorobutyric acid to give (2S)-2-(tert-butoxycarbonylamino)-4,4-difluorobutanol.
2. react the product of the previous step with dimethyl carbamate to obtain (2S)-2-(tert-butoxycarbonylamino)-4,4-difluoro-butanoic acid.
Safety Information:
-This compound should be considered a toxic substance and must be handled carefully in a laboratory environment.
-Avoid contact with skin and eyes.
-Wear appropriate protective measures such as lab gloves and goggles during operation.
-should be operated in a well-ventilated place to avoid inhalation of toxic gas.
-Waste shall be disposed of in accordance with the local chemical waste disposal method.
Nature:
-Appearance: White crystalline solid
-Solubility: Soluble in polar solvents such as ethanol, dimethyl sulfoxide and dimethylformamide, insoluble in non-polar solvents such as n-heptane and cyclohexane.
-Melting point: about 105-110°C
-Symbol:(S)-2-N-Boc-amino-4,4-difluorobutyric acid
Use:
(2S)-2-(tert-butoxycarbonylamino)-4,4-difluoro-butyanoic acid is often used as a reagent, intermediate or chiral stereo element in drug synthesis. It can be prepared by reacting a carboxylating agent with an amine.
Preparation Method:
(2S)-2-(tert-butoxycarbonylamino)-4,4-difluoro-butanoic acid can be prepared by the following steps:
1. t-butanol reacts with (2S)-4,4-difluorobutyric acid to give (2S)-2-(tert-butoxycarbonylamino)-4,4-difluorobutanol.
2. react the product of the previous step with dimethyl carbamate to obtain (2S)-2-(tert-butoxycarbonylamino)-4,4-difluoro-butanoic acid.
Safety Information:
-This compound should be considered a toxic substance and must be handled carefully in a laboratory environment.
-Avoid contact with skin and eyes.
-Wear appropriate protective measures such as lab gloves and goggles during operation.
-should be operated in a well-ventilated place to avoid inhalation of toxic gas.
-Waste shall be disposed of in accordance with the local chemical waste disposal method.
Last Update：2024-04-09 02:00:46
