| Identification | Back Directory | [Name]
Propargyl butylcarbamate | [CAS]
76114-73-3 | [Synonyms]
PBC
propargyl butylcarbamate
2-propynyl butylcarbamate
allylene butyl isocyanate
PROPARGYL-N-BUTYLCARBAMATE
Allylene N-butyl isocyanate
N-Butyl propargyl carbamate
prop-2-ynyl N-butylcarbamate
Prop-2-yn-1-yl butylcarbamate
butylcarbamic acid prop-2-ynyl ester
BUTYL-2-PROPYNYL ESTER CARBAMIC ACID
N-butylcarbamic acid prop-2-ynyl ester
Butyl-2-propynylestercarbamicacid(BIC)
Carbamic acid, N-butyl-, 2-propyn-1-yl ester | [EINECS(EC#)]
616-291-8 | [Molecular Formula]
C8H13NO2 | [MDL Number]
MFCD06411065 | [MOL File]
76114-73-3.mol | [Molecular Weight]
155.19 |
| Chemical Properties | Back Directory | [Boiling point ]
233°C | [density ]
0.990 | [vapor pressure ]
0.41-76Pa at -1.51-50℃ | [refractive index ]
1.452 | [Fp ]
95°C | [storage temp. ]
2-8°C | [solubility ]
DMSO (Slightly), Methanol (Slightly) | [form ]
Oil | [pka]
12.03±0.46(Predicted) | [color ]
Clear Colourless | [Odor]
Mild odor | [LogP]
1.86-1.9 at 25℃ and pH7.2 | [Surface tension]
55.47mN/m at 1g/L and 20℃ | [EPA Substance Registry System]
Carbamic acid, butyl-, 2-propynyl ester (76114-73-3) |
| Hazard Information | Back Directory | [Uses]
Used in the preparation of cosmetic and pharamceutical products. | [General Description]
Propargyl Butylcarbamate is a chemical compound known for its role as a biocide and stabilizer. It finds various applications across different industries due to its unique properties.
| [Synthesis]
The general procedure for the synthesis of 2-alkynyl-N-butylcarbamates from butyl bromide and 2-propyn-1-ol is as follows:
Example I Synthesis of benzyl propargyl carbamate: a mixture of n-butyl bromide (8.8 g, 0.064 mol), 2-propyn-1-ol (3 g, 0.054 mol), potassium cyanide (6.5 g, 0.08 mol), and tetrabutylammonium bromide (1.7 g, 0.005 mol) was heated to 70 °C in acetonitrile (45 mL), and the reaction was carried out under nitrogen protection for 22 hours. After completion of the reaction, the insoluble precipitate was removed by filtration and the filtrate was concentrated by rotary evaporator to give a yellow oil (6.7 g). Purification by column chromatography (silica gel, 15/85 ethyl acetate/hexane) gave N-alkynyl carbamate (4.4 g, 53% yield) as a colorless oil.
NMR (CDCl3, ppm): δ 4.75 (2H, s), 3.2 (2H, m), 2.5 (1H, s), 1.4 (4H, m), 1.0 (3H, t).
GC/MS (m/e): 155 (M+), 112 (100%), 74, 57, 56. | [References]
[1] Patent: EP539092, 1993, A1 |
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