Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
Propynal diethyl acetal |
EINECS | 233-430-4 |
CAS No. | 10160-87-9 | Density | 0.909 g/cm3 |
PSA | 18.46000 | LogP | 1.01870 |
Solubility | Slightly soluble in water. | Melting Point |
N/A |
Formula | C7H12O2 | Boiling Point | 139 °C at 760 mmHg |
Molecular Weight | 128.171 | Flash Point | 32.2 °C |
Transport Information | N/A | Appearance | Clear light yellow liquid |
Safety | 16-26-36 | Risk Codes | 10-36/37/38 |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
Propiolaldehyde diethyl acetal;Propyne, 3,3-diethoxy-;1,1-Diethoxyprop-2-yne;2-Propyn-1-al diethyl acetal;3,3-Diethoxy-1-propyne;3,3-Diethoxypropyne;NSC 45019;Propynaldiethyl acetal; |
Article Data | 30 |
2,3-dibromo-1,1-diethoxypropane
Propiolaldehyde diethyl acetal
Conditions | Yield |
---|---|
With potassium hydroxide; tetraoctyl ammonium bromide In Petroleum ether at 80℃; for 6h; | 79% |
With ammonia; sodium amide In diethyl ether at -34℃; for 0.25h; | 75% |
With ammonia; sodium amide at -30℃; | 75% |
Conditions | Yield |
---|---|
With sodium hydroxide; N-benzyl-N,N,N-triethylammonium chloride In dichloromethane Ambient temperature; | 70% |
Conditions | Yield |
---|---|
With sodium hydroxide; N-benzyl-N,N,N-triethylammonium chloride In dichloromethane Ambient temperature; | 57% |
Conditions | Yield |
---|---|
With sulfur dioxide; calcium chloride |
2,2-dibromo-propionaldehyde diethylacetal
Propiolaldehyde diethyl acetal
Conditions | Yield |
---|---|
With potassium tert-butylate; tert-butyl alcohol at 100℃; |
6,6-diethoxy-3-methyl-hex-4-yn-3-ol
sodium methylate
Propiolaldehyde diethyl acetal
Conditions | Yield |
---|---|
at 150℃; under 20 Torr; |
Conditions | Yield |
---|---|
(i) EtMgBr, (ii) /BRN= 605384/; Multistep reaction; | |
beim Behandeln von Acetylen-monomagnesiumbromid; |
2,2-dibromo-propionaldehyde diethylacetal
potassium tert-butylate
tert-butyl alcohol
Propiolaldehyde diethyl acetal
3-(1-ethoxy-prop-2-ynyloxy)-propenal
Propiolaldehyde diethyl acetal
Conditions | Yield |
---|---|
(heating); |
Conditions | Yield |
---|---|
(i) (bromination), (ii) /BRN= 605384/, (iii) NaNH2, liq. NH3; Multistep reaction; |
The 1-Propyne,3,3-diethoxy-, with the CAS registry number 10160-87-9, is also known as 3,3-diethoxypropyne. Its EINECS number is 233-430-4. It belongs to the product categories of Acetylenes; Functionalized Acetylenes. This chemical's molecular formula is C7H12O2 and molecular weight is 128.17. What's more, its systematic name is 3,3-Diethoxyprop-1-yne. Its storage temperature is 2-8 °C.
Physical properties of 1-Propyne,3,3-diethoxy- are: (1)ACD/LogP: 1.67; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.67; (4)ACD/LogD (pH 7.4): 1.67; (5)ACD/BCF (pH 5.5): 10.88; (6)ACD/BCF (pH 7.4): 10.88; (7)ACD/KOC (pH 5.5): 192.1; (8)ACD/KOC (pH 7.4): 192.1; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 18.46 Å2; (13)Index of Refraction: 1.421; (14)Molar Refractivity: 35.75 cm3; (15)Molar Volume: 140.9 cm3; (16)Polarizability: 14.17×10-24 cm3; (17)Surface Tension: 28.7 dyne/cm; (18)Density: 0.909 g/cm3; (19)Flash Point: 32.2 °C; (20)Enthalpy of Vaporization: 36.07 kJ/mol; (21)Boiling Point: 139 °C at 760 mmHg; (22)Vapour Pressure: 8.16 mmHg at 25 °C.
Preparation: this chemical can be prepared by 2,3-dibromo-1,1-diethoxy-propane at the temperature of 80 °C. This reaction will need reagent solid potassium hydroxyde and solvent petroleum ether with the reaction time of 6 hours. This reaction will also need catalyst tetraoctylammonium bromide. The yield is about 79%.
Uses of 1-Propyne,3,3-diethoxy-: it can be used to produce 5,5-diethoxy-pent-3-yn-2-ol at the ambient temperature. It will need reagents acetaldehyde, BuLi and solvents diethyl ether, hexane with the reaction time of 2 hours. The yield is about 70%.
When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. It is flammable, so you should keep it away from sources of ignition - No smoking. It is 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.
You can still convert the following datas into molecular structure:
(1)SMILES: C#CC(OCC)OCC
(2)InChI: InChI=1/C7H12O2/c1-4-7(8-5-2)9-6-3/h1,7H,5-6H2,2-3H3
(3)InChIKey: RGUXEWWHSQGVRZ-UHFFFAOYAB