| Identification | More | [Name]
1-Butylpyrrolidine | [CAS]
767-10-2 | [Synonyms]
1-BUTYLPYRROLIDINE
N-BUTYL PYRROLIDINE
1-butyl-pyrrolidin
N-butyl-Tetrahydropyrrole
Pyrrolidine, 1-butyl- | [EINECS(EC#)]
212-179-4 | [Molecular Formula]
C8H17N | [MDL Number]
MFCD00003184 | [Molecular Weight]
127.23 | [MOL File]
767-10-2.mol |
| Chemical Properties | Back Directory | [Boiling point ]
155-157 °C/754 mmHg (lit.) | [density ]
0.814 g/mL at 25 °C(lit.)
| [refractive index ]
n20/D 1.44(lit.)
| [Fp ]
97 °F
| [storage temp. ]
Refrigerator, Under inert atmosphere | [solubility ]
Chloroform (Sparingly), Ethyl Acetate (Slightly) | [form ]
Oil | [pka]
10.62±0.20(Predicted) | [color ]
Colourless | [InChI]
InChI=1S/C8H17N/c1-2-3-6-9-7-4-5-8-9/h2-8H2,1H3 | [InChIKey]
JSHASCFKOSDFHY-UHFFFAOYSA-N | [SMILES]
N1(CCCC)CCCC1 | [LogP]
2.209 (est) | [CAS DataBase Reference]
767-10-2(CAS DataBase Reference) | [NIST Chemistry Reference]
1-Butylpyrrolidine(767-10-2) |
| Safety Data | Back Directory | [Hazard Codes ]
T | [Risk Statements ]
R10:Flammable.
R24/25:Toxic in contact with skin and if swallowed . | [Safety Statements ]
S16:Keep away from sources of ignition-No smoking .
S36/37:Wear suitable protective clothing and gloves .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) . | [RIDADR ]
UN 2929 6.1/PG 2
| [WGK Germany ]
2
| [RTECS ]
UX9800000
| [HazardClass ]
3.2 | [PackingGroup ]
III | [Storage Class]
3 - Flammable liquids | [Hazard Classifications]
Acute Tox. 3 Dermal
Acute Tox. 3 Oral
Flam. Liq. 3 |
| Hazard Information | Back Directory | [Uses]
1-Butylpyrrolidine can be used in the composition for alcohol recovery solution. | [Preparation]
The synthesis of 1-butylpyrrolidine and its derivatives (1-butylpyrrolidine with a little of 1-butenylpyrrolidines) was developed via a one-pot method from ammonia and 1,4-butandiol. Here, the product of 1-butylpyrrolidine was emphatically investigated, and the yield was 76% under the optimized conditions. Such a route was realized through successive N-alkylation using aqueous ammonia as the nitrogen source over the CuNiPd/ZSM-5 catalyst, which was prepared by a simple incipient wetness method. In this route, 1,4-butandiol not only participated in the formation of the N-heterocycle, but also acted as an alkylating reagent. This work offers a straightforward, economical route for 1-butylpyrrolidine and its derivatives.
One-pot synthesis of 1-butylpyrrolidine and its derivatives from aqueous ammonia and 1,4-butandiol over CuNiPd/ZSM-5 catalysts |
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