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CAS No.: | 765-03-7 |
---|---|
Name: | 1-Dodecyne |
Article Data: | 28 |
Molecular Structure: | |
Formula: | C12H22 |
Molecular Weight: | 166.307 |
Synonyms: | Decylacetylene;n-Decylacetylene;dodec-1-yne;Dodec-1-in;dodec-1-yne;Decylacetylene; |
EINECS: | 212-134-9 |
Density: | 0.79 g/cm3 |
Melting Point: | ?19 °C(lit.) |
Boiling Point: | 215 °C at 760 mmHg |
Flash Point: | 79.4 °C |
Solubility: | Not miscible in water. |
Appearance: | clear colorless to light yellow liquid |
Hazard Symbols: | Xi |
Risk Codes: | 41 |
Safety: | 26-39 |
PSA: | 0.00000 |
LogP: | 4.15040 |
Conditions | Yield |
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With potassium salt of 1,3-diaminopropane In tetrahydrofuran at 0℃; for 0.5h; other reagent; | 97% |
With sodium amide; mineral oil at 210℃; |
(Z)-1-dimethylphenylsilyl-2-iodo-1-dodecene
1-dodecyne
Conditions | Yield |
---|---|
With tetrabutyl ammonium fluoride In tetrahydrofuran; dimethyl sulfoxide at 80℃; for 0.25h; | 95% |
1-trimethylsilyldodec-1-yne
1-dodecyne
Conditions | Yield |
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With silver nitrate In water; acetone at 20 - 55℃; for 48h; | 92% |
5-dodecyne
1-dodecyne
Conditions | Yield |
---|---|
With lithium 2-aminoethylamide In ethylenediamine for 0.333333h; amide-hydrocarbon ratio 3.5:1; | 85% |
Conditions | Yield |
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With potassium carbonate In methanol at 4℃; for 36h; Horner-Wadsworth-Emmons reaction; | 70% |
Conditions | Yield |
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With magnesium In tetrahydrofuran; benzene at 50 - 65℃; for 4h; | 52.3% |
lithium 1-phenylethenolate
1-dodecenyl phenyl selenone
A
1-dodecyne
B
2-decylcyclopropyl phenyl ketone
Conditions | Yield |
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A 19% B 41% |
1,2-Dibromododecane
1-dodecyne
Conditions | Yield |
---|---|
With potassium hydroxide | |
With potassium hydroxide; sodium hydride 1.) water, EtOH, reflux, 2 h, 2.) DMSO, 10 deg C, 1 h; Yield given. Multistep reaction; |
Conditions | Yield |
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With ammonia; sodium amide under 5884.06 Torr; | |
With ammonia; N,N-dimethyl-formamide nach Entfernung des Ammoniaks bei 65-70grad; |
Conditions | Yield |
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With ammonia unter Druck; |
The 1-Dodecyne, with the CAS registry number 765-03-7 and EINECS registry number 212-134-9, has the systematic name and IUPAC name of dodec-1-yne. It is a kind of clear colorless to light yellow liquid, and belongs to the following procuct categories: Acetylenes; Acetylenic Hydrocarbons; Alkynes; Organic Building Blocks; Termina. And the molecular formula of the chemical is C12H22.
The characteristics of 1-Dodecyne are as followings: (1)ACD/LogP: 5.78; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.78; (4)ACD/LogD (pH 7.4): 5.78; (5)ACD/BCF (pH 5.5): 14545.38; (6)ACD/BCF (pH 7.4): 14545.38; (7)ACD/KOC (pH 5.5): 33209.78; (8)ACD/KOC (pH 7.4): 33209.78; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.44; (14)Molar Refractivity: 55.47 cm3; (15)Molar Volume: 210.3 cm3; (16)Polarizability: 21.99×10-24cm3; (17)Surface Tension: 29 dyne/cm; (18)Density: 0.79 g/cm3; (19)Flash Point: 79.4 °C; (20)Enthalpy of Vaporization: 43.29 kJ/mol; (21)Boiling Point: 215 °C at 760 mmHg; (22)Vapour Pressure: 0.222 mmHg at 25°C.
Uses of 1-Dodecyne: It can react with butane-1-thiol to produce 1-butylsulfanyl-dodec-1-ene. This reaction will need reagent Et3B and MeOH, and the menstruum hexan and benzene. The reaction time is 4 hours with temperature of 25°C, and the yield is about 60%.
You should be cautious while dealing with this chemical. It has risk of serious damage to eyes. Therefore, you had better take the following instructions: Wear suitable eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: C#CCCCCCCCCCC
(2)InChI: InChI=1/C12H22/c1-3-5-7-9-11-12-10-8-6-4-2/h1H,4-12H2,2H3
(3)InChIKey: ZVDBUOGYYYNMQI-UHFFFAOYAI