Details
2-Octynoic acid GMP Manufacturer Global Trade 5663-96-7 with Fast Delivery
- Molecular Formula: C8H12O2
- Molecular Weight: 140.182
- Appearance/Colour: clear colorless to light yellow liquid
- Vapor Pressure: 0.00475mmHg at 25°C
- Melting Point: 2-5 °C(lit.)
- Refractive Index: n20/D 1.46(lit.)
- Boiling Point: 256.3 °C at 760 mmHg
- PKA: 2.45±0.10(Predicted)
- Flash Point: 101.1 °C
- PSA： 37.30000
- Density: 1.011 g/cm3
- LogP: 1.65470
2-Octynoic acid(Cas 5663-96-7) Usage
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Synthesis Reference(s) |
Synthesis, p. 498, 1987 DOI: 10.1055/s-1987-27983 |
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Definition |
ChEBI: Octanoic acid (caprylic acid) which has been doubly dehydrogenated at positions 2 and 3 to give the corresponding alkynoic acid. It is widely used in perfumes, lipstick, and many common food flavourings. |
InChI:InChI=1/C8H12O2/c1-2-3-4-5-6-7-8(9)10/h2-5H2,1H3,(H,9,10)/p-1
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5663-96-7 Process route
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1846-68-0
oct-2-ynal
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5663-96-7
oct-2-ynoic acid
| Conditions | Yield |
|---|---|
|
With
periodic acid; pyridinium chlorochromate;
In
acetonitrile;
for 1.5h;
|
96%
|
|
With
Iron(III) nitrate nonahydrate; oxygen; sodium 2,2,2-trifluoroacetate;
In
ethyl acetate;
at 25 ℃;
for 16h;
under 760.051 Torr;
|
82%
|
|
With
copper acetylacetonate; N-hydroxyphthalimide; oxygen;
In
acetonitrile;
at 70 ℃;
for 20h;
under 760 Torr;
|
74%
|
-
-
628-71-7
1-Heptyne
-
-
124-38-9,18923-20-1
carbon dioxide
-
-
5663-96-7
oct-2-ynoic acid
| Conditions | Yield |
|---|---|
|
With
3-(1-mesityl-1H-imidazol-3-ium-3-yl)propane-1-sulfonate; caesium carbonate; potassium iodide; silver(l) oxide;
In
N,N-dimethyl-formamide;
at 35 ℃;
for 24h;
under 750.075 Torr;
Darkness;
|
98%
|
|
With
caesium carbonate;
In
dimethyl sulfoxide;
at 50 ℃;
for 18h;
under 760.051 Torr;
|
94%
|
|
With
n-butyllithium;
In
tetrahydrofuran;
at -78 - 0 ℃;
for 1h;
|
90%
|
|
With
caesium carbonate;
In
dimethyl sulfoxide;
at 25 ℃;
for 18h;
|
82%
|
|
With
1,3-bis(4-methylbenzyl)imidazol-2-ylidene silver(I) chloride; caesium carbonate;
In
N,N-dimethyl-formamide;
at 20 ℃;
for 16h;
under 760.051 Torr;
Schlenk technique;
|
81%
|
|
With
ethylmagnesium bromide;
Yield given. Multistep reaction;
1.) THF, reflux, 1 h, 2.) THF, 15 min;
|
|
|
1-Heptyne;
With
n-butyllithium;
In
tetrahydrofuran;
at -78 ℃;
for 0.5h;
Inert atmosphere;
Schlenk technique;
carbon dioxide;
In
tetrahydrofuran;
at -78 - 0 ℃;
for 0.5h;
Inert atmosphere;
Schlenk technique;
|
5663-96-7 Upstream products
-
2384-75-0
1-chloro-hept-1-ene
-
541-41-3
chloroformic acid ethyl ester
-
74198-05-3
sodioheptyne
-
15719-64-9
methylammonium carbonate
5663-96-7 Downstream products
-
111-12-6
methyl 2-octynoate
-
10519-20-7
ethyl 2-octynoate
-
1577-96-4
(Z)-oct-2-enoic acid
-
628-71-7
1-Heptyne
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