1-(2-Chloroethyl)pyrrolidine Hydrochloride
Synonym(s):2-Pyrrolidinoethyl chloride hydrochloride
- CAS NO.：7250-67-1
- Empirical Formula: C6H13Cl2N
- Molecular Weight: 170.08
- MDL number: MFCD00012718
- EINECS: 230-660-7
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-09-11 10:31:56
What is 1-(2-Chloroethyl)pyrrolidine Hydrochloride?
Chemical properties
white to off-white crystals or crystalline powder
The Uses of 1-(2-Chloroethyl)pyrrolidine Hydrochloride
1-(2-Chloroethyl)pyrrolidine is a haloalkyl substituted pyrrolidine used in the preparation of various pharmaceutical compound such as the estrogen receptor antagonist Nafoxidine (N212800) and its ana logues.
The Uses of 1-(2-Chloroethyl)pyrrolidine Hydrochloride
1-(2-Chloroethyl)pyrrolidine is a haloalkyl substituted pyrrolidine used in the preparation of various pharmaceutical compound such as the estrogen receptor antagonist Nafoxidine (N212800) and its analogues.
Purification Methods
Purify the hydrochloride by recrystallisation from isopropanol/di-isopropyl ether (charcoal) and recrystallise it twice more. The free base, b 55-56o/11mm, 60-63o/23mm and 90o/56mm, is relatively unstable and should be converted to the hydrochloride immediately, by dissolving in isopropanol and bubbling dry HCl through the solution at 0o, filtering off the hydrochloride and recrystallising it. The picrate has m 107.3-107.8o (from EtOH) [Cason J Org Chem 24 247 1959, Wright et al. J Am Chem Soc 70 3098 1948]. [Beilstein 20 III/IV 66.]
Properties of 1-(2-Chloroethyl)pyrrolidine Hydrochloride
| Melting point: | 167-170 °C(lit.) |
| Boiling point: | 237°C(lit.) |
| Density | 0.4[at 20℃] |
| vapor pressure | 1.64hPa at 25℃ |
| storage temp. | Inert atmosphere,Room Temperature |
| solubility | Chloroform (Slightly), Water (Slightly) |
| form | Crystalline Powder or Crystals |
| color | White to off-white |
| Water Solubility | Soluble |
| Sensitive | Hygroscopic |
| BRN | 3677061 |
| InChI | InChI=1S/C6H12ClN.ClH/c7-3-6-8-4-1-2-5-8;/h1-6H2;1H |
| CAS DataBase Reference | 7250-67-1(CAS DataBase Reference) |
Safety information for 1-(2-Chloroethyl)pyrrolidine Hydrochloride
| Signal word | Warning |
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P271:Use only outdoors or in a well-ventilated area. P280:Wear protective gloves/protective clothing/eye protection/face protection. P302+P352:IF ON SKIN: wash with plenty of soap and water. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
Computed Descriptors for 1-(2-Chloroethyl)pyrrolidine Hydrochloride
| InChIKey | FSNGFFWICFYWQC-UHFFFAOYSA-N |
| SMILES | N1(CCCl)CCCC1.[H]Cl |
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