Product Name

  • Name

    3-Chloropropionaldehyde diethylacetal

  • EINECS 252-623-4
  • CAS No. 35573-93-4
  • Article Data26
  • CAS DataBase
  • Density 0.988 g/cm3
  • Solubility
  • Melting Point
  • Formula C7H15ClO2
  • Boiling Point 181.8 °C at 760 mmHg
  • Molecular Weight 166.648
  • Flash Point 36.7 °C
  • Transport Information UN 1989 3/PG 3
  • Appearance clear colourless to yellow liquid
  • Safety 26-36-16
  • Risk Codes 10-36/37/38
  • Molecular Structure Molecular Structure of 35573-93-4 (3-Chloropropionaldehyde diethylacetal)
  • Hazard Symbols IrritantXi; FlammableF
  • Synonyms Propionaldehyde,3-chloro-, diethyl acetal (6CI,7CI);1-Chloro-3,3-diethoxypropane;3,3-Diethoxypropyl chloride;3-Chloropropanaldiethyl acetal;3-Chloropropionaldehyde diethyl acetal;NSC 60136;b-Chloropropanal diethyl acetal;b-Chloropropionaldehyde diethylacetal;
  • PSA 18.46000
  • LogP 2.01440

Synthetic route

ethanol
64-17-5

ethanol

acrolein
107-02-8

acrolein

3-chloro-1,1-diethoxy-propane
35573-93-4

3-chloro-1,1-diethoxy-propane

Conditions
ConditionsYield
With hydrogenchloride; calcium chloride at 0℃; for 24h;90%
With hydrogenchloride
With hydrogenchloride
3-chloropropanaldehyde
19434-65-2

3-chloropropanaldehyde

ethanol
64-17-5

ethanol

3-chloro-1,1-diethoxy-propane
35573-93-4

3-chloro-1,1-diethoxy-propane

Conditions
ConditionsYield
With hydrogenchloride at 25℃; Gleichgewicht und Geschwindigkeit der Bildung;
1,3-dichloro-1-ethoxy-propane
89212-07-7

1,3-dichloro-1-ethoxy-propane

ethanol
64-17-5

ethanol

3-chloro-1,1-diethoxy-propane
35573-93-4

3-chloro-1,1-diethoxy-propane

1,3-dichloro-1-ethoxy-propane
89212-07-7

1,3-dichloro-1-ethoxy-propane

sodium ethanolate
141-52-6

sodium ethanolate

3-chloro-1,1-diethoxy-propane
35573-93-4

3-chloro-1,1-diethoxy-propane

ethanol
64-17-5

ethanol

1,3-dichloro-1-methoxy-propane
4446-86-0

1,3-dichloro-1-methoxy-propane

3-chloro-1,1-diethoxy-propane
35573-93-4

3-chloro-1,1-diethoxy-propane

acrolein
107-02-8

acrolein

3-chloro-1,1-diethoxy-propane
35573-93-4

3-chloro-1,1-diethoxy-propane

Conditions
ConditionsYield
With hydrogenchloride
With hydrogenchloride; calcium chloride
With hydrogenchloride
hydrogenchloride
7647-01-0

hydrogenchloride

ethanol
64-17-5

ethanol

acrolein
107-02-8

acrolein

3-chloro-1,1-diethoxy-propane
35573-93-4

3-chloro-1,1-diethoxy-propane

...Expand
2-n-butyl-3-(4-hydroxybenzoyl)-5-nitrobenzofuran
141645-16-1

2-n-butyl-3-(4-hydroxybenzoyl)-5-nitrobenzofuran

3-chloro-1,1-diethoxy-propane
35573-93-4

3-chloro-1,1-diethoxy-propane

(2-butyl-5-nitro-1-benzofuran-3-yl)[4-(3,3-diethoxypropoxy)phenyl]methanone
1420181-01-6

(2-butyl-5-nitro-1-benzofuran-3-yl)[4-(3,3-diethoxypropoxy)phenyl]methanone

Conditions
ConditionsYield
With potassium carbonate; sodium iodide for 6h; Reflux;99%
thiophene-2-carbaldehyde
98-03-3

thiophene-2-carbaldehyde

3-chloro-1,1-diethoxy-propane
35573-93-4

3-chloro-1,1-diethoxy-propane

4,4-diethoxy-1-(thiophen-2-yl)butan-1-ol
1258208-43-3

4,4-diethoxy-1-(thiophen-2-yl)butan-1-ol

Conditions
ConditionsYield
Stage #1: 3-chloro-1,1-diethoxy-propane With magnesium; ethylene dibromide In tetrahydrofuran at 15 - 25℃;
Stage #2: thiophene-2-carbaldehyde In tetrahydrofuran at -40 - 0℃; for 2.5h;		97%
3-chloro-1,1-diethoxy-propane
35573-93-4

3-chloro-1,1-diethoxy-propane

3,5-dimethylbenzaldehyde
5779-95-3

3,5-dimethylbenzaldehyde

1-(3,5-dimethylphenyl)-4,4-diethoxybutan-1-ol
1258208-42-2

1-(3,5-dimethylphenyl)-4,4-diethoxybutan-1-ol

Conditions
ConditionsYield
Stage #1: 3-chloro-1,1-diethoxy-propane With magnesium; ethylene dibromide In tetrahydrofuran at 15 - 25℃;
Stage #2: 3,5-dimethylbenzaldehyde In tetrahydrofuran at -40 - 0℃; for 2.5h;		97%
3-chloro-1,1-diethoxy-propane
35573-93-4

3-chloro-1,1-diethoxy-propane

1-phenyl-propan-1-one
93-55-0

1-phenyl-propan-1-one

6,6-diethoxy-3-phenylhexan-3-ol
1258208-68-2

6,6-diethoxy-3-phenylhexan-3-ol

Conditions
ConditionsYield
Stage #1: 3-chloro-1,1-diethoxy-propane With magnesium; ethylene dibromide In tetrahydrofuran at 15 - 25℃;
Stage #2: 1-phenyl-propan-1-one In tetrahydrofuran at -40 - 0℃; for 2.5h;		97%
3-chloro-1,1-diethoxy-propane
35573-93-4

3-chloro-1,1-diethoxy-propane

5-(4-hydroxyphenyl)-10,15,20-triphenylporphyrin

5-(4-hydroxyphenyl)-10,15,20-triphenylporphyrin

5-[4-(oxy 3-propionaldehyde diethyl acetal)phenyl]-10,15,20-triphenyl-porphyrin

5-[4-(oxy 3-propionaldehyde diethyl acetal)phenyl]-10,15,20-triphenyl-porphyrin

Conditions
ConditionsYield
With potassium carbonate In N,N-dimethyl-formamide at 80℃; for 16h; Inert atmosphere;97%
3-chloro-1,1-diethoxy-propane
35573-93-4

3-chloro-1,1-diethoxy-propane

2-methyldiphenylsilyl-1,3-dithiane
135746-47-3

2-methyldiphenylsilyl-1,3-dithiane

<2-(3,3-Diethoxypropyl)-1,3-dithian-2-yl>methyldiphenylsilane
162318-00-5

<2-(3,3-Diethoxypropyl)-1,3-dithian-2-yl>methyldiphenylsilane

Conditions
ConditionsYield
With n-butyllithium In tetrahydrofuran; hexane 1.) -25 deg C, 2.5 h, 2.) -25 deg C, 4 h;96%
3-chloro-1,1-diethoxy-propane
35573-93-4

3-chloro-1,1-diethoxy-propane

phenyl isopropyl ketone
611-70-1

phenyl isopropyl ketone

6,6-diethoxy-2-methyl-3-phenylhexan-3-ol
1258208-69-3

6,6-diethoxy-2-methyl-3-phenylhexan-3-ol

Conditions
ConditionsYield
Stage #1: 3-chloro-1,1-diethoxy-propane With magnesium; ethylene dibromide In tetrahydrofuran at 15 - 25℃;
Stage #2: phenyl isopropyl ketone In tetrahydrofuran at -40 - 0℃; for 2.5h;		96%
3-chloro-1,1-diethoxy-propane
35573-93-4

3-chloro-1,1-diethoxy-propane

3-methyl-1-phenylbutan-1-one
582-62-7

3-methyl-1-phenylbutan-1-one

1,1-diethoxy-6-methyl-4-phenylheptan-4-ol
1258208-70-6

1,1-diethoxy-6-methyl-4-phenylheptan-4-ol

Conditions
ConditionsYield
Stage #1: 3-chloro-1,1-diethoxy-propane With magnesium; ethylene dibromide In tetrahydrofuran at 15 - 25℃;
Stage #2: 3-methyl-1-phenylbutan-1-one In tetrahydrofuran at -40 - 0℃; for 2.5h;		95%
3-chloro-1,1-diethoxy-propane
35573-93-4

3-chloro-1,1-diethoxy-propane

4-methoxy-benzaldehyde
123-11-5

4-methoxy-benzaldehyde

4,4-diethoxy-1-(4-methoxyphenyl)butan-1-ol
1258208-39-7

4,4-diethoxy-1-(4-methoxyphenyl)butan-1-ol

Conditions
ConditionsYield
Stage #1: 3-chloro-1,1-diethoxy-propane With magnesium; ethylene dibromide In tetrahydrofuran at 15 - 25℃;
Stage #2: 4-methoxy-benzaldehyde In tetrahydrofuran at -40 - 0℃; for 2.5h;		95%
sodium cyanide
773837-37-9

sodium cyanide

3-chloro-1,1-diethoxy-propane
35573-93-4

3-chloro-1,1-diethoxy-propane

4,4-diethoxybutanenitrile
18381-45-8

4,4-diethoxybutanenitrile

Conditions
ConditionsYield
With tetra-(n-butyl)ammonium iodide In dimethyl sulfoxide at 50℃; for 15h;94%
In dimethyl sulfoxide at 80℃; for 24h;86%
3-chloro-1,1-diethoxy-propane
35573-93-4

3-chloro-1,1-diethoxy-propane

β-naphthaldehyde
66-99-9

β-naphthaldehyde

4,4-diethoxy-1-(naphthalen-2-yl)butan-1-ol
1258208-41-1

4,4-diethoxy-1-(naphthalen-2-yl)butan-1-ol

Conditions
ConditionsYield
Stage #1: 3-chloro-1,1-diethoxy-propane With magnesium; ethylene dibromide In tetrahydrofuran at 15 - 25℃;
Stage #2: β-naphthaldehyde In tetrahydrofuran at -40 - 0℃; for 2.5h;		94%
3-chloro-1,1-diethoxy-propane
35573-93-4

3-chloro-1,1-diethoxy-propane

benzaldehyde
100-52-7

benzaldehyde

4-hydroxy-4-phenylbutanal diethyl acetal
112084-43-2

4-hydroxy-4-phenylbutanal diethyl acetal

Conditions
ConditionsYield
Stage #1: 3-chloro-1,1-diethoxy-propane With magnesium; ethylene dibromide In tetrahydrofuran at 15 - 25℃;
Stage #2: benzaldehyde In tetrahydrofuran at -40 - 0℃; for 2.5h;		92%
3-chloro-1,1-diethoxy-propane
35573-93-4

3-chloro-1,1-diethoxy-propane

lithium acetylide-ethylenediamine complex
1216963-74-4

lithium acetylide-ethylenediamine complex

4-pentynyl diethyl acetal
68654-84-2

4-pentynyl diethyl acetal

Conditions
ConditionsYield
In dimethyl sulfoxide at 15℃; for 3h;91%
3-chloro-1,1-diethoxy-propane
35573-93-4

3-chloro-1,1-diethoxy-propane

5-fluoro-2,4-bis(trimethylsilyloxy)pyrimidine
17242-85-2

5-fluoro-2,4-bis(trimethylsilyloxy)pyrimidine

(1'RS)-1-(3'-Chloro-1'-ethoxypropyl)-5-fluorouracil
133625-58-8

(1'RS)-1-(3'-Chloro-1'-ethoxypropyl)-5-fluorouracil

Conditions
ConditionsYield
With trimethylsilyl trifluoromethanesulfonate In dichloromethane at -30℃;91%
O-methylresorcine
150-19-6

O-methylresorcine

3-chloro-1,1-diethoxy-propane
35573-93-4

3-chloro-1,1-diethoxy-propane

3-m-methoxyphenoxypropionaldehyde diethyl acetal
153750-80-2

3-m-methoxyphenoxypropionaldehyde diethyl acetal

Conditions
ConditionsYield
With sodium hydroxide In water 1.) room temperature, 30 min, 2.) reflux, 15 h;91%
Stage #1: O-methylresorcine With sodium hydroxide In water for 0.5h;
Stage #2: 3-chloro-1,1-diethoxy-propane In water for 16h; Reflux;		47%
2,5-Dimethylphenol
95-87-4

2,5-Dimethylphenol

3-chloro-1,1-diethoxy-propane
35573-93-4

3-chloro-1,1-diethoxy-propane

3-(2,5-dimethylphenoxy)propanal diethylacetal
1025804-42-5

3-(2,5-dimethylphenoxy)propanal diethylacetal

Conditions
ConditionsYield
With sodium hydroxide; tetra(n-butyl)ammonium hydroxide Heating;90%
3-chloro-1,1-diethoxy-propane
35573-93-4

3-chloro-1,1-diethoxy-propane

3-azidopropanal diethyl acetal
688317-69-3

3-azidopropanal diethyl acetal

Conditions
ConditionsYield
With sodium azide In dimethyl sulfoxide at 50℃; for 16h;90%
With sodium azide; potassium iodide In dimethyl sulfoxide at 20 - 90℃; Inert atmosphere;88%
With sodium azide In dimethyl sulfoxide at 50℃; for 16h;
3-chloro-1,1-diethoxy-propane
35573-93-4

3-chloro-1,1-diethoxy-propane

4-fluorobenzaldehyde
459-57-4

4-fluorobenzaldehyde

4,4-diethoxy-1-(4-fluorophenyl)butan-1-ol
1258208-40-0

4,4-diethoxy-1-(4-fluorophenyl)butan-1-ol

Conditions
ConditionsYield
Stage #1: 3-chloro-1,1-diethoxy-propane With magnesium; ethylene dibromide In tetrahydrofuran at 15 - 25℃;
Stage #2: 4-fluorobenzaldehyde In tetrahydrofuran at -40 - 0℃; for 2.5h;		90%
3-chloro-1,1-diethoxy-propane
35573-93-4

3-chloro-1,1-diethoxy-propane

p-hydroxybenzamide
619-57-8

p-hydroxybenzamide

4-(3,3-diethoxypropoxy)benzamide
1409760-30-0

4-(3,3-diethoxypropoxy)benzamide

Conditions
ConditionsYield
With potassium carbonate In N,N-dimethyl-formamide at 100℃; for 18h;89%
3-chloro-1,1-diethoxy-propane
35573-93-4

3-chloro-1,1-diethoxy-propane

D,L-1,2,4-butanetriol
3068-00-6

D,L-1,2,4-butanetriol

cis-[2-(2-chloroethyl)-1,3-dioxan-4-yl]methanol

cis-[2-(2-chloroethyl)-1,3-dioxan-4-yl]methanol

Conditions
ConditionsYield
With chloro-trimethyl-silane; cobalt(II) chloride In acetonitrile at 20℃; Inert atmosphere; stereoselective reaction;89%
3-chloro-1,1-diethoxy-propane
35573-93-4

3-chloro-1,1-diethoxy-propane

phenylacetonitrile
140-29-4

phenylacetonitrile

α-(2,2-diethoxypropyl)benzyl cyanide
93722-30-6

α-(2,2-diethoxypropyl)benzyl cyanide

Conditions
ConditionsYield
Stage #1: phenylacetonitrile With lithium diisopropyl amide In tetrahydrofuran at -78℃; for 0.666667h;
Stage #2: 3-chloro-1,1-diethoxy-propane In tetrahydrofuran at -78℃; Cooling;		87%
With sodium hydride In N,N-dimethyl-formamide at 70℃; for 2h;80%
3-chloro-1,1-diethoxy-propane
35573-93-4

3-chloro-1,1-diethoxy-propane

benzyl 4-ethyl-3-methyl-1H-pyrrole-2-carboxylate
51089-83-9

benzyl 4-ethyl-3-methyl-1H-pyrrole-2-carboxylate

Dibenzyl 5-(2-chloroethyl)-3,7-diethyl-2,8-dimethyldihydrodipyrrin-1,9-dicarboxylate
161690-40-0

Dibenzyl 5-(2-chloroethyl)-3,7-diethyl-2,8-dimethyldihydrodipyrrin-1,9-dicarboxylate

Conditions
ConditionsYield
With Montmorillonite K-10 clay; trifluoroacetic acid In dichloromethane87%
With Montmorillonite K-10 clay; trifluoroacetic acid In dichloromethane for 5h; Ambient temperature;87%
3-chloro-1,1-diethoxy-propane
35573-93-4

3-chloro-1,1-diethoxy-propane

6-cyano-4-[3-chloro-4-(3-fluorobenzyloxy)phenyl]aminoquinazoline

6-cyano-4-[3-chloro-4-(3-fluorobenzyloxy)phenyl]aminoquinazoline

6-(furan-2-yl)-4-[3-chloro-4-(3-fluorobenzyloxy)phenyl]aminoquinazoline

6-(furan-2-yl)-4-[3-chloro-4-(3-fluorobenzyloxy)phenyl]aminoquinazoline

Conditions
ConditionsYield
Stage #1: 3-chloro-1,1-diethoxy-propane With iodine; magnesium In 2-methyltetrahydrofuran; ethylene dibromide at 60 - 65℃; for 5h;
Stage #2: 6-cyano-4-[3-chloro-4-(3-fluorobenzyloxy)phenyl]aminoquinazoline In 2-methyltetrahydrofuran; ethylene dibromide at 25 - 30℃; for 5h;
Stage #3: With hydrogenchloride In 2-methyltetrahydrofuran; water; ethylene dibromide at 50 - 55℃; for 4h;		86.2%
3-chloro-1,1-diethoxy-propane
35573-93-4

3-chloro-1,1-diethoxy-propane

2-o-Tolyl-pentanenitrile
145611-08-1

2-o-Tolyl-pentanenitrile

5,5-Diethoxy-2-propyl-2-o-tolyl-pentanenitrile
145611-11-6

5,5-Diethoxy-2-propyl-2-o-tolyl-pentanenitrile

Conditions
ConditionsYield
With sodium amide In toluene for 5h; Heating;85%
3-chloro-1,1-diethoxy-propane
35573-93-4

3-chloro-1,1-diethoxy-propane

N-(2-hydroxymethylphenyl)-4-methylbenzenesulfonamide
90312-02-0

N-(2-hydroxymethylphenyl)-4-methylbenzenesulfonamide

C21H29NO5S

C21H29NO5S

Conditions
ConditionsYield
With potassium carbonate; potassium iodide In N,N-dimethyl-formamide at 80℃; Inert atmosphere;85%
3-chloro-1,1-diethoxy-propane
35573-93-4

3-chloro-1,1-diethoxy-propane

1-(3,4-dimethoxyphenyl)-2-methylpropan-2-ol
23037-61-8

1-(3,4-dimethoxyphenyl)-2-methylpropan-2-ol

1-(2-chloroethyl)-3,3-dimethyl-6,7-dimethoxyisochroman
79842-27-6

1-(2-chloroethyl)-3,3-dimethyl-6,7-dimethoxyisochroman

Conditions
ConditionsYield
With tetrafluoroboric acid-diethyl ether complex In nitromethane for 1.3h;84%
3-chloro-1,1-diethoxy-propane
35573-93-4

3-chloro-1,1-diethoxy-propane

2-(3,4-dimethoxy-phenyl)-2-methyl-propan-1-ol
70822-01-4

2-(3,4-dimethoxy-phenyl)-2-methyl-propan-1-ol

1-(2-chloroethyl)-4,4-dimethyl-6,7-dimethoxyisochroman
70822-39-8

1-(2-chloroethyl)-4,4-dimethyl-6,7-dimethoxyisochroman

Conditions
ConditionsYield
With tetrafluoroboric acid-diethyl ether complex In nitromethane at 22℃; for 3h;84%
3-chloro-1,1-diethoxy-propane
35573-93-4

3-chloro-1,1-diethoxy-propane

potassium phtalimide
1074-82-4

potassium phtalimide

N-(3,3-diethoxypropyl)phthalimide
2453-90-9

N-(3,3-diethoxypropyl)phthalimide

Conditions
ConditionsYield
In N,N-dimethyl-formamide at 145℃; for 5h;83%
3-chloro-1,1-diethoxy-propane
35573-93-4

3-chloro-1,1-diethoxy-propane

triethyl phosphite
122-52-1

triethyl phosphite

diethyl 3,3-diethoxypropylphosphonate
15110-17-5

diethyl 3,3-diethoxypropylphosphonate

Conditions
ConditionsYield
82%

3-Chloro-1,1-diethoxypropane Specification

The Propane,3-chloro-1,1-diethoxy-, with the CAS registry number 35573-93-4 and EINECS registry number 252-623-4, has the systematic name and IUPAC name of 3-chloro-1,1-diethoxypropane. It is a kind of clear clear colourless to yellow liquid, and the molecular formula of the chemical is C7H15ClO2.

The physical properties of Propane,3-chloro-1,1-diethoxy- are as followings: (1)ACD/LogP: 1.84; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.84; (4)ACD/LogD (pH 7.4): 1.84; (5)ACD/BCF (pH 5.5): 14.8; (6)ACD/BCF (pH 7.4): 14.8; (7)ACD/KOC (pH 5.5): 239.52; (8)ACD/KOC (pH 7.4): 239.52; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 18.46 Å2; (13)Index of Refraction: 1.421; (14)Molar Refractivity: 42.77 cm3; (15)Molar Volume: 168.5 cm3; (16)Polarizability: 16.95×10-24cm3; (17)Surface Tension: 27.4 dyne/cm; (18)Density: 0.988 g/cm3; (19)Flash Point: 36.7 °C; (20)Enthalpy of Vaporization: 40.09 kJ/mol; (21)Boiling Point: 181.8 °C at 760 mmHg; (22)Vapour Pressure: 1.14 mmHg at 25°C.

Preparation: This chemical can be prepared by propenal and ethanol. The reaction will need reagent HCl and CaCl2. The reaction time is 24 hours with temperature of 0°C, and the yield is about 90%. 

Uses of cis-2-Phenyl-1,3-dioxan-5-ol: It can react with phosphorous acid triethyl ester to produce (3,3-Diaethoxy-propyl)-phosphonsaeure-diaethylester. And the yield is about 82%.

You should be cautious while dealing with this chemical. It is a kind of flammble chemical which irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Keep away from sources of ignition - No smoking; Wear suitable protective clothing; In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: ClCCC(OCC)OCC
(2)InChI: InChI=1/C7H15ClO2/c1-3-9-7(5-6-8)10-4-2/h7H,3-6H2,1-2H3
(3)InChIKey: NXHONHDWVLPPCS-UHFFFAOYAN

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