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| CAS No.: | 5390-04-5 |
|---|---|
| Name: | 4-Pentyn-1-ol |
| Article Data: | 37 |
| Molecular Structure: | |
|
|
|
| Formula: | C5H8O |
| Molecular Weight: | 84.1179 |
| Synonyms: | (3-Hydroxypropyl)acetylene;1-Hydroxy-4-pentyne;1-Pentyn-5-ol;5-Hydroxy-1-pentyne;NSC 5274;Pent-4-yne-1-ol; |
| EINECS: | 226-383-6 |
| Density: | 0.911 g/cm3 |
| Melting Point: | -24.1°C (estimate) |
| Boiling Point: | 153.999 °C at 760 mmHg |
| Flash Point: | 61.667 °C |
| Solubility: | Miscible with water. |
| Appearance: | Clear yellow liquid |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36-37/39 |
| Transport Information: | UN 1987 |
| PSA: | 20.23000 |
| LogP: | 0.39210 |
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| Conditions | Yield |
|---|---|
| With n-butyllithium In hexane at 0℃; for 2h; Solvent; Temperature; | 99.9% |
| With ammonia; sodium amide | 91% |
| With Iron(III) nitrate nonahydrate; ammonia; sodium Cooling with acetone-dry ice; | 89% |
- 5390-04-5
pent-1-yn-5-ol
| Conditions | Yield |
|---|---|
| With indium; water; ammonium chloride In methanol for 0.5h; Heating; | 98% |
- 5390-04-5
pent-1-yn-5-ol
| Conditions | Yield |
|---|---|
| With methanol; toluene-4-sulfonic acid In tetrahydrofuran at 70℃; for 24h; deprotection of alcoholic OH; | 94% |
- 130018-34-7
5-(2-propenyloxy)-1-pentyne
- 5390-04-5
pent-1-yn-5-ol
| Conditions | Yield |
|---|---|
| quinoline-2-carboxylic acid; cyclopentadienylruthenium(II) trisacetonitrile hexafluorophosphate In methanol at 30℃; for 3h; Conversion of starting material; | 94% |
| With quinoline-2-carboxylic acid; cyclopentadienylruthenium(II) trisacetonitrile hexafluorophosphate In methanol at 30℃; for 3h; | 94 % Chromat. |
- 197219-01-5
1-methoxy-4-pent-4-ynyloxymethyl-benzene
- 5390-04-5
pent-1-yn-5-ol
| Conditions | Yield |
|---|---|
| With trifluorormethanesulfonic acid In dichloromethane at 21℃; for 0.25h; | 91% |
- 5390-04-5
pent-1-yn-5-ol
| Conditions | Yield |
|---|---|
| With indium; water; ammonium chloride In methanol for 0.5h; Heating; | 87% |
| Conditions | Yield |
|---|---|
| With lithium aluminium tetrahydride In diethyl ether for 2h; Heating; | 85% |
| With lithium aluminium tetrahydride In tetrahydrofuran at 0 - 20℃; |
- 62992-46-5
1-(tetrahydropyranyloxy)-4-pentyn
- 5390-04-5
pent-1-yn-5-ol
| Conditions | Yield |
|---|---|
| With indium(III) triflate In methanol; water at 0 - 20℃; for 10h; | 82% |
| With pyridinium p-toluenesulfonate In ethanol at 25℃; for 3h; |
| Conditions | Yield |
|---|---|
| With bis(acetylacetonate)oxovanadium; methyl 3,5-bis((1H-1,2,4-triazol-1-yl)methyl)benzoate; oxygen; sodium acetate at 120℃; for 48h; | A 60% B 62% |
- 30428-24-1
nitrite de pentyne-4 ol-1
A
- 96-48-0
4-butanolide
B
- 18498-59-4
4-pentyn-1-al
C
- 5390-04-5
pent-1-yn-5-ol
| Conditions | Yield |
|---|---|
| In benzene at 10 - 20℃; for 18h; Irradiation; | A 2% B n/a C 38% |
| In benzene at 10 - 20℃; for 18h; Product distribution; Irradiation; examination of further acetylenic nitrites, reaction time; | A 2% B n/a C 38% |
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Specification
The 4-Pentyn-1-ol, with the CAS registry number 5390-04-5, is also known as (3-Hydroxypropyl)acetylene. It belongs to the product categories of Miscellaneous; Acetylenes; Acetylenic Alcohols & Their Derivatives; Alkynes; Organic Building Blocks; Terminal. Its EINECS number is 226-383-6. This chemical's molecular formula is C5H8O and molecular weight is 84.12. What's more, its systematic name is pent-4-yn-1-ol. It is stable at common pressure and temperature, and it should be sealed and stored in a cool and dry place. Moreover, it should be protected from light. It is used in the Grignard reagent reaction and aldehyde oxidation reaction.
Physical properties of 4-Pentyn-1-ol are: (1)ACD/LogP: 0.47; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.468; (4)ACD/LogD (pH 7.4): 0.468; (5)ACD/BCF (pH 5.5): 1.334; (6)ACD/BCF (pH 7.4): 1.334; (7)ACD/KOC (pH 5.5): 42.788; (8)ACD/KOC (pH 7.4): 42.788; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 20.23 Å2; (13)Index of Refraction: 1.445; (14)Molar Refractivity: 24.576 cm3; (15)Molar Volume: 92.34 cm3; (16)Polarizability: 9.743×10-24cm3; (17)Surface Tension: 36.394 dyne/cm; (18)Density: 0.911 g/cm3; (19)Flash Point: 61.667 °C; (20)Enthalpy of Vaporization: 45.515 kJ/mol; (21)Boiling Point: 153.999 °C at 760 mmHg; (22)Vapour Pressure: 1.195 mmHg at 25°C.
Preparation: this chemical can be prepared by 2-chloromethyl-tetrahydro-furan at the temperature of -60 °C. This reaction will need reagent NaNH2 and solvent tetrahydrofuran with the reaction time of 1 hour. The yield is about 80%.
Uses of 4-Pentyn-1-ol: it can be used to produce 2-pent-4-ynyloxy-tetrahydro-pyran at the ambient temperature. It will need reagent p-TsOH and solvent diethyl ether. The yield is about 99%.
When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)SMILES: C#CCCCO
(2)Std. InChI: InChI=1S/C5H8O/c1-2-3-4-5-6/h1,6H,3-5H2
(3)Std. InChIKey: CRWVOXFUXPYTRK-UHFFFAOYSA-N