| Identification | More | [Name]
N-Cyclohexyl-2-pyrrolidone | [CAS]
6837-24-7 | [Synonyms]
1-CYCLOHEXYL-2-PYRROLIDINONE
1-CYCLOHEXYL-2-PYRROLIDONE
CHP
LABOTEST-BB LT00159787
N-CYCLOHEXYL-2-PYRROLIDINONE
N-CYCLOHEXYL-2-PYRROLIDONE
N-CYCLOHEXYL PYRROLIDONE
1-cyclohexyl-2-pyrrolidinon
1-cyclohexyl-pyrrolidin-2-one
n-cyclohexyl
n-cyclohexylpyrrolidinone
2-Pyrrolidinone, 1-cyclohexyl-
N-Cyclohexyl-2-pyrrolidon
1-Cyclohexyl-2-pyrrolizinone | [EINECS(EC#)]
229-919-7 | [Molecular Formula]
C10H17NO | [MDL Number]
MFCD00003191 | [Molecular Weight]
167.25 | [MOL File]
6837-24-7.mol |
| Chemical Properties | Back Directory | [Appearance]
clear liquid | [Melting point ]
12 °C | [Boiling point ]
154 °C7 mm Hg(lit.) | [density ]
1.007 g/mL at 25 °C(lit.)
| [vapor pressure ]
0.05 mm Hg ( 25 °C)
| [refractive index ]
n20/D 1.499(lit.)
| [Fp ]
>230 °F
| [storage temp. ]
Sealed in dry,Room Temperature | [form ]
clear liquid | [pka]
-0.49±0.20(Predicted) | [color ]
Colorless to Orange to Green | [Water Solubility ]
Soluble | [BRN ]
121832 | [InChI]
InChI=1S/C10H17NO/c12-10-7-4-8-11(10)9-5-2-1-3-6-9/h9H,1-8H2 | [InChIKey]
PZYDAVFRVJXFHS-UHFFFAOYSA-N | [SMILES]
N1(C2CCCCC2)CCCC1=O | [CAS DataBase Reference]
6837-24-7(CAS DataBase Reference) | [EPA Substance Registry System]
6837-24-7(EPA Substance) |
| Safety Data | Back Directory | [Hazard Codes ]
Xn,T+ | [Risk Statements ]
R22:Harmful if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin .
R26:Very Toxic by inhalation.
R21/22:Harmful in contact with skin and if swallowed . | [Safety Statements ]
S23:Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer) .
S24/25:Avoid contact with skin and eyes .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S38:In case of insufficient ventilation, wear suitable respiratory equipment .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice . | [RIDADR ]
UN 2810 6.1/PG 2
| [WGK Germany ]
1
| [RTECS ]
UY5748450
| [TSCA ]
Yes | [HazardClass ]
8 | [PackingGroup ]
III | [HS Code ]
29337900 | [Safety Profile]
Poison by ingestion.
Moderately toxic by inhalation and slun
contact. A severe skin and eye irritant. When
heated to decomposition it emits toxic
fumes of NOx. |
| Hazard Information | Back Directory | [Chemical Properties]
clear liquid | [Synthesis]
Bis[(4-chlorophenyl)methyl](4-chloro-3-butynyl)amine (5) (31.8 mg, 0.090 mmol) was used as a raw material and reacted with rhodium trifluoroacetate dimer (Rh2(tfa)4, 1.18 mg, 0.018 mmol) under argon protection in a mixed solvent of toluene (1.0 mL) and water (0.01 mL) at a heated reflux for 10 hr. After the reaction was completed, the mixture was cooled down. After completion of the reaction, the mixture was cooled to room temperature and filtered through a short diatomaceous earth pad assisted with ethyl acetate. The filtrates were combined and concentrated under reduced pressure to obtain the crude product. The crude product was purified by silica gel column chromatography (eluent: hexane-ethyl acetate mixed solvent) to give N-cyclohexylpyrrolidone (15.5 mg, 82% yield) as a final oil. The structure of the product was confirmed by 1H NMR, 13C NMR and IR: 1H NMR (δ, ppm): 2.01 (quintuple peak, J = 7.7 Hz, 2H), 2.45 (t, J = 7.7 Hz, 2H), 3.26 (t, J = 7.7 Hz, 2H), 4.42 (s, 2H), 7.18 (d, J = 8.4 Hz, 2H), 7.30 ( d, J = 8.4 Hz, 2H); 13C NMR (δ, ppm): 17.78, 30.81, 46.02, 66.60, 128.87 (2C), 129.51 (2C), 133.51, 135.22, 174.97; IR (pure, cm-1): 3060, 3049, 2926, 1682 (C=O) , 1493, 1093, 1016, 802. | [References]
[1] Tetrahedron Letters, 2011, vol. 52, # 19, p. 2458 - 2461 |
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