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3-(Dimethylamino)-1-(2-thienyl)-1-propanone hydrochloride
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Name

3-(Dimethylamino)-1-(2-thienyl)-1-propanone hydrochloride

 EINECS 611-117-7
CAS No. 5424-47-5 Density 1.096 g/cm3
PSA 48.55000 LogP 2.68450
Solubility N/A Melting Point 176.0 to 182.0 °C
Formula C9H13NOS.HCl Boiling Point 282.6 °C at 760 mmHg
Molecular Weight 219.735 Flash Point 124.7 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 5424-47-5 (2-THIENYL-2-DIMETHYLAMINOETHYL KETONE HCL) Hazard Symbols N/A
Synonyms

1-Propanone,3-(dimethylamino)-1-(2-thienyl)-, hydrochloride (7CI,9CI);3-Dimethylamino-1-(2-thienyl)-1-propanonehydrochloride;3-(Dimethylamino)-1-(2-thienyl)-1-propanone hydrochloride;3-Dimethyl amino-1-(2-thienyl)-1-propanone hydrochloride;

Article Data 37

3-(Dimethylamino)-1-(2-thienyl)-1-propanone hydrochloride Synthetic route

88-15-3

2-Acetylthiophene

50-00-0

formaldehyd

506-59-2

N,N-dimethylammonium chloride

5424-47-5

3-(dimethylamino)-1-(thiophen-2-yl)propan-1-one hydrochloride

Conditions
ConditionsYield
With hydrogenchloride In water; isopropyl alcohol for 6h; Reflux;94%
With hydrogenchloride In water; isopropyl alcohol for 8h; Reflux;92.4%
With hydrogenchloride In ethanol for 24h; Heating;91%
88-15-3

2-Acetylthiophene

30354-18-8

N,N-dimethyl(methylene)ammonium chloride

5424-47-5

3-(dimethylamino)-1-(thiophen-2-yl)propan-1-one hydrochloride

Conditions
ConditionsYield
In acetonitrile at 20℃;61%
88-15-3

2-Acetylthiophene

506-59-2

N,N-dimethylammonium chloride

5424-47-5

3-(dimethylamino)-1-(thiophen-2-yl)propan-1-one hydrochloride

Conditions
ConditionsYield
With hydrogenchloride In isopropyl alcohol
With hydrogenchloride; paraformaldehyde In ethanol75.0 g (73%)
With hydrogenchloride; paraformaldehyde In ethanol3.391 kg (85.7%)
5424-47-5

3-(dimethylamino)-1-(thiophen-2-yl)propan-1-one hydrochloride

13636-02-7, 132335-44-5, 132335-49-0

3-(N,N-dimethylamino)-1-(thien-2-yl)propan-1-ol

Conditions
ConditionsYield
With sodium tetrahydroborate; sodium hydroxide In methanol; water at 35 - 40℃; for 2h;95%
With sodium tetrahydroborate; sodium hydroxide In ethanol; water at 20℃; pH=11 -Ca. 12;93.5%
With sodium tetrahydroborate; sodium hydroxide In water at 20 - 71℃; for 7h;90.1%
496-15-1

1-indoline

5424-47-5

3-(dimethylamino)-1-(thiophen-2-yl)propan-1-one hydrochloride

1267977-01-4

3-(indolin-1-yl)-1-(thiophen-2-yl)-1-propanone

Conditions
ConditionsYield
In ethanol; water for 1h; Reflux;95%
5424-47-5

3-(dimethylamino)-1-(thiophen-2-yl)propan-1-one hydrochloride

132335-44-5

(S)-3-dimethylamino-1-(2-thienyl)propan-1-ol

Conditions
ConditionsYield
With glucose dehydrogenase; D-glucose; Rhodosporidium toruloides carbonyl reductase 9 from Escherichia coli; NADPH; sodium hydroxide In aq. phosphate buffer at 30℃; for 4h; pH=7; Kinetics; Temperature; Enzymatic reaction; enantioselective reaction;92.1%
With hydrogen; sodium hydrogencarbonate; (2R,4R)-4-(dicyclohexylphosphino)-2-(diphenylphosphino-methyl)-N-methyl-aminocarbonyl-pyrrolidine; di-μ-chloro-bis(1,5-cyclooctadiene)dirhodium In methanol; water at 30℃; under 75007.5 Torr; for 20h;
Multi-step reaction with 3 steps
1: sodium tetrahydroborate; sodium hydroxide / water / 7 h / 20 - 71 °C
2: toluene / 0.5 h / 80 °C
3: sodium hydroxide / water
View Scheme
5424-47-5

3-(dimethylamino)-1-(thiophen-2-yl)propan-1-one hydrochloride

106-54-7

p-Chlorothiophenol

320422-69-3

3-(4-chlorophenylthio)-1-(thiophen-2-yl)-1-propanone

Conditions
ConditionsYield
In ethanol; water for 1h; Reflux;83%
5424-47-5

3-(dimethylamino)-1-(thiophen-2-yl)propan-1-one hydrochloride

91-60-1

2-Naphthalenethiol

23117-91-1

3-(naphthalen-2-ylthio)-1-(thiophen-2-yl)-1-propanone

Conditions
ConditionsYield
In ethanol; water for 1h; Reflux;83%
5424-47-5

3-(dimethylamino)-1-(thiophen-2-yl)propan-1-one hydrochloride

134-20-3

2-carbomethoxyaniline

893770-14-4

methyl 2-(3-oxo-3-(thiophen-2-yl)propylamino)benzoate

Conditions
ConditionsYield
In ethanol; water for 1h; Reflux;82%
5424-47-5

3-(dimethylamino)-1-(thiophen-2-yl)propan-1-one hydrochloride

6610-29-3

4-methylthiosemicarbazide

1253196-01-8

1-(N-methylthiocarbamoyl)-3-(thiophen-2-yl)-4,5-dihydropyrazole

Conditions
ConditionsYield
Stage #1: 3-(dimethylamino)-1-(thiophen-2-yl)propan-1-one hydrochloride; 4-methylthiosemicarbazide In isopropyl alcohol Inert atmosphere;
Stage #2: With potassium hydroxide In ethanol; isopropyl alcohol		78%

3-(Dimethylamino)-1-(2-thienyl)-1-propanone hydrochloride Specification

The 1-Propanone,3-(dimethylamino)-1-(2-thienyl)-, hydrochloride (1:1), with the CAS registry number 5424-47-5, is also known as BIM-0008383.P001. This chemical's molecular formula is C9H13NOS.HCl and molecular weight is 219.73. Its IUPAC name is called 3-(dimethylamino)-1-thiophen-2-ylpropan-1-one hydrochloride.

Physical properties of 1-Propanone,3-(dimethylamino)-1-(2-thienyl)-, hydrochloride (1:1): (1)ACD/LogP: 1.33; (2)ACD/LogD (pH 5.5): -1.49; (3)ACD/LogD (pH 7.4): 0.07; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 6.9; (8)#H bond acceptors: 2; (9)#H bond donors: 0; (10)#Freely Rotating Bonds: 4; (11)Flash Point: 124.7 °C; (12)Enthalpy of Vaporization: 52.15 kJ/mol; (13)Boiling Point: 282.6 °C at 760 mmHg; (14)Vapour Pressure: 0.00332 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CN(C)CCC(=O)C1=CC=CS1.Cl
(2)InChI: InChI=1S/C9H13NOS.ClH/c1-10(2)6-5-8(11)9-4-3-7-12-9;/h3-4,7H,5-6H2,1-2H3;1H
(3)InChIKey: HPVHJPMLORARSR-UHFFFAOYSA-N

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