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

Name
2-THIENYL-2-DIMETHYLAMINOETHYL KETONE HCL
EINECS 611-117-7
CAS No. 5424-47-5
Article Data37
CAS DataBase
Density 1.096 g/cm³
Solubility
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
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
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;
PSA 48.55000
LogP 2.68450

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

Conditions	Yield
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%

...Expand

: 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

Conditions	Yield
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

Conditions	Yield
With hydrogenchloride In isopropyl alcohol
With hydrogenchloride; paraformaldehyde In ethanol	75.0 g (73%)
With hydrogenchloride; paraformaldehyde In ethanol	3.391 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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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%

: 19172-47-5
Lawessons reagent

: 5424-47-5
3-(dimethylamino)-1-(thiophen-2-yl)propan-1-one hydrochloride

: 1467081-71-5
2-(4-methoxyphenyl)-6-(thiophen-2-yl)-4H-1,3,2-oxathiaphosphorine-2-sulfide

Conditions

Conditions	Yield
In toluene for 12h; Reflux;	78%

: 5424-47-5
3-(dimethylamino)-1-(thiophen-2-yl)propan-1-one hydrochloride

: 132335-49-0
α-[2-(dimethylamino)ethyl](thiophene-2-yl)methanol

Conditions

Conditions	Yield
With methanol; sodium tetrahydroborate; sodium hydroxide In water at 0℃; for 15h;	78%
Multi-step reaction with 2 steps 1: sodium tetrahydroborate; sodium hydroxide / methanol; water / 4 h / 0 - 20 °C / Inert atmosphere 2: diethylamine / ethanol; n-heptane / Resolution of racemate View Scheme
Multi-step reaction with 2 steps 1: sodium tetrahydroborate; sodium hydroxide / water; ethanol / 20 °C / pH 11 -Ca. 12 2: ethanol; tert-butyl methyl ether / 0.75 h / Reflux View Scheme

: 26482-00-8
1-(2-oxo-2-(2-pyridyl)ethyl)pyridinium iodide

: 5424-47-5
3-(dimethylamino)-1-(thiophen-2-yl)propan-1-one hydrochloride

: 123760-40-7
6-(thiophen-2-yl)-2,2'-bipyridine

Conditions

Conditions	Yield
With ammonium acetate In acetic acid 100 deg C 10 min, 105 deg C 4 h;	75%
With ammonium acetate In acetic acid Krohnke pyridine synthesis; Reflux;	65%

: 5424-47-5
3-(dimethylamino)-1-(thiophen-2-yl)propan-1-one hydrochloride

: 79-19-6
thiosemicarbazide

: 1253195-94-6
1-thiocarbamoyl-3-(thiophen-2-yl)-4,5-dihydropyrazole

Conditions

Conditions	Yield
Stage #1: 3-(dimethylamino)-1-(thiophen-2-yl)propan-1-one hydrochloride; thiosemicarbazide In isopropyl alcohol Inert atmosphere; Stage #2: With potassium hydroxide In ethanol; isopropyl alcohol	75%

: 637-89-8
4-sulfanylphenol

: 5424-47-5
3-(dimethylamino)-1-(thiophen-2-yl)propan-1-one hydrochloride

: 3-(4-hydroxyphenylthio)-1-(thiophen-2-yl)-1-propanone

Conditions

Conditions	Yield
In ethanol; water for 1h; Reflux;	70%

: 288-88-0
1,2,4-Triazole

: 5424-47-5
3-(dimethylamino)-1-(thiophen-2-yl)propan-1-one hydrochloride

: 81234-93-7
1-(thiophen-2-yl)-3-(1H-1,2,4-triazol-1-yl)-1-propanone

Conditions

Conditions	Yield
In toluene for 7h; Reflux;	70%

: 67-51-6
3,5-dimethyl-1H-pyrazole

: 5424-47-5
3-(dimethylamino)-1-(thiophen-2-yl)propan-1-one hydrochloride

: 3-(3,5-dimethyl-1H-pyrazol-1-yl)-1-(thiophen-2-yl)-1-propanone

Conditions

Conditions	Yield
In water for 1h; Reflux;	69%

: 52807-29-1
N-(4-iodophenyl)benzamide

: 5424-47-5
3-(dimethylamino)-1-(thiophen-2-yl)propan-1-one hydrochloride

: trans-1-[4-(benzoylamino)phenyl]-3-(2-thienyl)-1-propen-3-one

Conditions

Conditions	Yield
With triethylamine; palladium diacetate In N,N-dimethyl-formamide at 140℃; for 0.5h; Heck reaction;	65%

: 288-32-4
1H-imidazole

: 5424-47-5
3-(dimethylamino)-1-(thiophen-2-yl)propan-1-one hydrochloride

: 1296877-16-1
3-(1H-imidazole-1-yl)-1-(thiophen-2-yl)propan-1-one

Conditions

Conditions	Yield
In water for 1h; Reflux;	64%

: 17282-37-0
1-(p-bromophenacyl)pyridinium bromide

: 5424-47-5
3-(dimethylamino)-1-(thiophen-2-yl)propan-1-one hydrochloride

: 2-(4-bromophenyl)-6-(thiophen-2-yl)pyridine

Conditions

Conditions	Yield
With ammonium acetate; acetic acid for 6h; Reflux;	63%

: 288-13-1
NH-pyrazole

: 5424-47-5
3-(dimethylamino)-1-(thiophen-2-yl)propan-1-one hydrochloride

: 3-(1H-pyrazol-1-yl)-1-(thiophen-2-yl)-1-propanone

Conditions

Conditions	Yield
In water for 1h; Reflux;	62%

: 637-60-5
p-tolylhydrazine hydrochloride

: 5424-47-5
3-(dimethylamino)-1-(thiophen-2-yl)propan-1-one hydrochloride

: 40566-71-0
1-(4-methylphenyl)-3-(thiophen-2-yl)-4,5-dihydropyrazole

Conditions

Conditions	Yield
With sodium hydroxide In ethanol for 3h; Reflux;	62%

: 26031-66-3
1-(2-(4-chlorophenyl)-2-oxoethyl)pyridinium bromide

: 5424-47-5
3-(dimethylamino)-1-(thiophen-2-yl)propan-1-one hydrochloride

: 2-(4-chlorophenyl)-6-(thiophen-2-yl)pyridine

Conditions

Conditions	Yield
With ammonium acetate; acetic acid for 6h; Reflux;	62%

: 5424-47-5
3-(dimethylamino)-1-(thiophen-2-yl)propan-1-one hydrochloride

: 115073-23-9, 1047724-08-2
3-amino-4-methyl-6-phenyl-pyrazolo[3,4-d]pyrimidine

: 4-methyl-2-phenyl-6-(2-thienyl)-7,8-dihydropyrimido[2,3:4,3]pyrazolo[1,5-a]pyrimidine

Conditions

Conditions	Yield
at 200℃;	59%

: 123-90-0
Thiomorpholin

: 5424-47-5
3-(dimethylamino)-1-(thiophen-2-yl)propan-1-one hydrochloride

: 3-(thiomorpholin-4-yl)-1-(thiophen-2-yl)-1-propanone hydrochloride

Conditions

Conditions	Yield
In water at 20℃; for 24h;	59%

: 94-14-4
Isobutyl 4-aminobenzoate

: 5424-47-5
3-(dimethylamino)-1-(thiophen-2-yl)propan-1-one hydrochloride

: isobutyl 4-(3-oxo-3-(thiophen-2-yl)propylamino)benzoate

Conditions

Conditions	Yield
In ethanol; water for 1h; Reflux;	58%

: 25769-03-3
pyrrolidinedithiocarbamate

: 5424-47-5
3-(dimethylamino)-1-(thiophen-2-yl)propan-1-one hydrochloride

: S-(3-oxo-3-(thiophen-2-yl)propyl)pyrrolidine-1-carbodithioate

Conditions

Conditions	Yield
In water at 20℃; for 24h;	57%

: 41078-15-3
3-aminothieno<3,4:3',4'>benzopyran-4-one

: 5424-47-5
3-(dimethylamino)-1-(thiophen-2-yl)propan-1-one hydrochloride

: 3-amino-1-(3-thien-2-yl-3-oxopropyl)thieno<3,4-c>coumarin

Conditions

Conditions	Yield
With acetic acid In ethanol for 3h; Alkylation; Heating;	56.3%

: 5424-47-5
3-(dimethylamino)-1-(thiophen-2-yl)propan-1-one hydrochloride

: 106-53-6
para-bromobenzenethiol

: 477859-21-5
3-(4-bromophenylthio)-1-(thiophen-2-yl)-1-propanone

Conditions

Conditions	Yield
In ethanol; water for 1h; Reflux;	56%

: 5424-47-5
3-(dimethylamino)-1-(thiophen-2-yl)propan-1-one hydrochloride

: 3171-45-7
4,5-dimethyl-1,2-phenylenediamine

: 7,8-dimethyl-4-(thiophen-2-yl)-2,3-dihydro-1H-1,5-benzodiazepine

Conditions

Conditions	Yield
In ethanol for 0.5h; Reflux;	56%

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

Product Name

2-THIENYL-2-DIMETHYLAMINOETHYL KETONE HCL

Synthetic route

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

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