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Propynal diethyl acetal

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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 Molecular Structure of 10160-87-9 (PROPARGYLALDEHYDE DIETHYL ACETAL) Hazard Symbols IrritantXi
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

Propynal diethyl acetal Synthetic route

10160-86-8

2,3-dibromo-1,1-diethoxypropane

10160-87-9

Propiolaldehyde diethyl acetal

Conditions
ConditionsYield
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%
64-17-5

ethanol

178425-55-3

1,1,2-tribromocyclopropane

10160-87-9

Propiolaldehyde diethyl acetal

Conditions
ConditionsYield
With sodium hydroxide; N-benzyl-N,N,N-triethylammonium chloride In dichloromethane Ambient temperature;70%
64-17-5

ethanol

40745-72-0

1-bromo-2,2-dichlorocyclopropane

10160-87-9

Propiolaldehyde diethyl acetal

Conditions
ConditionsYield
With sodium hydroxide; N-benzyl-N,N,N-triethylammonium chloride In dichloromethane Ambient temperature;57%
624-67-9

Propargylic aldehyde

64-17-5

ethanol

10160-87-9

Propiolaldehyde diethyl acetal

Conditions
ConditionsYield
With sulfur dioxide; calcium chloride
408320-07-0

2,2-dibromo-propionaldehyde diethylacetal

10160-87-9

Propiolaldehyde diethyl acetal

Conditions
ConditionsYield
With potassium tert-butylate; tert-butyl alcohol at 100℃;
32798-36-0

6,6-diethoxy-3-methyl-hex-4-yn-3-ol

124-41-4

sodium methylate

10160-87-9

Propiolaldehyde diethyl acetal

Conditions
ConditionsYield
at 150℃; under 20 Torr;
122-51-0

orthoformic acid triethyl ester

74-86-2

acetylene

10160-87-9

Propiolaldehyde diethyl acetal

Conditions
ConditionsYield
(i) EtMgBr, (ii) /BRN= 605384/; Multistep reaction;
beim Behandeln von Acetylen-monomagnesiumbromid;
408320-07-0

2,2-dibromo-propionaldehyde diethylacetal

865-47-4

potassium tert-butylate

75-65-0

tert-butyl alcohol

10160-87-9

Propiolaldehyde diethyl acetal

22834-33-9

3-(1-ethoxy-prop-2-ynyloxy)-propenal

10160-87-9

Propiolaldehyde diethyl acetal

Conditions
ConditionsYield
(heating);
122-51-0

orthoformic acid triethyl ester

107-02-8

acrolein

10160-87-9

Propiolaldehyde diethyl acetal

Conditions
ConditionsYield
(i) (bromination), (ii) /BRN= 605384/, (iii) NaNH2, liq. NH3; Multistep reaction;

Propynal diethyl acetal Specification

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%.

1-Propyne,3,3-diethoxy- can be prepared by 2,3-dibromo-1,1-diethoxy-propane at the temperature of 80 °C.

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%.

1-Propyne,3,3-diethoxy- can be used to produce 5,5-diethoxy-pent-3-yn-2-ol at the ambient temperature.

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

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