Basic information Safety Supplier Related

Propargyl butylcarbamate

Basic information Safety Supplier Related

Propargyl butylcarbamate Basic information

Product Name:
Propargyl butylcarbamate
Synonyms:
  • PROPARGYL-N-BUTYLCARBAMATE
  • propargyl butylcarbamate
  • N-Butyl propargyl carbamate
  • N-butylcarbamic acid prop-2-ynyl ester
  • butylcarbamic acid prop-2-ynyl ester
  • BUTYL-2-PROPYNYL ESTER CARBAMIC ACID
  • 2-propynyl butylcarbamate
  • allylene butyl isocyanate
CAS:
76114-73-3
MF:
C8H13NO2
MW:
155.19
EINECS:
616-291-8
Product Categories:
  • Pharmaceutical Intermediates
Mol File:
76114-73-3.mol
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Propargyl butylcarbamate Chemical Properties

Boiling point:
233°C
Density 
0.990
vapor pressure 
0.41-76Pa at -1.51-50℃
refractive index 
1.452
Flash point:
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)
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Propargyl butylcarbamate Usage And Synthesis

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

109-65-9

107-19-7

76114-73-3

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

Propargyl butylcarbamateSupplier

Bide Pharmatech Ltd.
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