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Cas Database |
| Name |
2-Aminoethylmethylsulfone hydrochloride |
EINECS | 1806241-263-5 |
| CAS No. | 104458-24-4 | Density | N/A |
| PSA | 68.54000 | LogP | 1.57280 |
| Solubility | N/A | Melting Point |
168.0 to 172.0 °C |
| Formula | C3H9NO2S.HCl | Boiling Point | 325.8 °C at 760 mmHg |
| Molecular Weight | 159.637 | Flash Point | 150.8 °C |
| Transport Information | N/A | Appearance | power |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Ethanamine,2-(methylsulfonyl)-, hydrochloride (9CI);2-(Methylsulfonyl)ethanaminehydrochloride;2-(Methylsulfonyl)ethylamine hydrochloride;2-Aminoethyl methylsulfone hydrochloride;2-aminoethylmethylsulfone hydrochloride; |
Article Data | 9 |
2-Aminoethylmethylsulfone hydrochloride Synthetic route
- 154095-06-4
tert-butyl 2-(methylsulfonyl)ethylcarbamate
- 104458-24-4
2-(methylsulfonyl)ethylamine hydrochloride
| Conditions | Yield |
|---|---|
| With hydrogenchloride In ethyl acetate at 0 - 20℃; | 97% |
| With hydrogenchloride In ethanol at 20℃; Temperature; | 88% |
| With hydrogenchloride In diethyl ether; ethyl acetate at 20℃; | 78% |
- 18542-42-2
(2-aminoethyl)methylsulfide
- 104458-24-4
2-(methylsulfonyl)ethylamine hydrochloride
| Conditions | Yield |
|---|---|
| With hydrogenchloride; dihydrogen peroxide In water at 25 - 30℃; pH=3 - 4; Solvent; | 94.8% |
- 104458-24-4
2-(methylsulfonyl)ethylamine hydrochloride
| Conditions | Yield |
|---|---|
| With hydrogenchloride; water at 100℃; for 10h; Reagent/catalyst; Temperature; | 92.1% |
| With hydrogenchloride In water at 100℃; for 10h; | 92.1% |
- 104458-24-4
2-(methylsulfonyl)ethylamine hydrochloride
| Conditions | Yield |
|---|---|
| With potassium permanganate; water |
- 49773-20-8
2-Methanesulfonyl-ethylamine
- 104458-24-4
2-(methylsulfonyl)ethylamine hydrochloride
| Conditions | Yield |
|---|---|
| With hydrogenchloride In ethanol Product distribution / selectivity; |
- 104458-24-4
2-(methylsulfonyl)ethylamine hydrochloride
- 231278-84-5
5-(4-(3-chloro-4-(3-fluorobenzyloxy)phenylamino)quinazolin-6-yl)furan-2-carbaldehyde
- 231277-92-2
lapatanib
| Conditions | Yield |
|---|---|
| Stage #1: 2-(methylsulfonyl)ethylamine hydrochloride With N-ethyl-N,N-diisopropylamine In tetrahydrofuran at 20℃; for 0.333333h; Stage #2: 5-(4-(3-chloro-4-(3-fluorobenzyloxy)phenylamino)quinazolin-6-yl)furan-2-carbaldehyde With acetic acid In tetrahydrofuran at 40℃; for 2h; Stage #3: With sodium tris(acetoxy)borohydride In tetrahydrofuran at 25 - 40℃; for 3h; Concentration; | 100% |
| Stage #1: 2-(methylsulfonyl)ethylamine hydrochloride; 5-(4-(3-chloro-4-(3-fluorobenzyloxy)phenylamino)quinazolin-6-yl)furan-2-carbaldehyde With N-ethyl-N,N-diisopropylamine In isopropyl alcohol at 50 - 60℃; for 4h; Stage #2: With sodium cyanoborohydride In isopropyl alcohol at 20℃; for 2h; | 92.6% |
| Stage #1: 2-(methylsulfonyl)ethylamine hydrochloride With sodium sulfate; triethylamine In methanol at 0℃; for 0.333333h; Stage #2: 5-(4-(3-chloro-4-(3-fluorobenzyloxy)phenylamino)quinazolin-6-yl)furan-2-carbaldehyde With formic acid; sodium cyanoborohydride In tetrahydrofuran; methanol; N,N-dimethyl-formamide for 2h; pH=5 - 6; | 82% |
- 1440511-82-9
5-(4-(3-chloro-4-hydroxyphenylamino)quinazolin-6-yl)furan-2-carbaldehyde tosylate
- 104458-24-4
2-(methylsulfonyl)ethylamine hydrochloride
- 1440511-83-0
2-chloro-4-(6-(5-((2-(methylsulfonyl)ethylimino)methyl)furan-2-yl)quinazolin-4-ylamino)phenol
| Conditions | Yield |
|---|---|
| With N-ethyl-N,N-diisopropylamine In methanol at 20 - 25℃; for 20h; | 97.1% |
| Conditions | Yield |
|---|---|
| With triethylamine In dichloromethane at 25 - 30℃; Inert atmosphere; | 97% |
- 104458-24-4
2-(methylsulfonyl)ethylamine hydrochloride
- 231278-84-5
5-(4-(3-chloro-4-(3-fluorobenzyloxy)phenylamino)quinazolin-6-yl)furan-2-carbaldehyde
- 1227853-06-6
N-(3-chloro-4-(3-fluorobenzyloxy)phenyl)-6-(5-((2-(methylsulfonyl)ethylimino)methyl)furan-2-yl)quinazolin-4-amine
| Conditions | Yield |
|---|---|
| With triethylamine In methanol for 12h; Reflux; | 96% |
| With triethylamine In methanol for 12h; Reflux; | 96% |
| With triethylamine In methanol for 12h; Reflux; |
- 104458-24-4
2-(methylsulfonyl)ethylamine hydrochloride
- 104-15-4
toluene-4-sulfonic acid
- 231278-84-5
5-(4-(3-chloro-4-(3-fluorobenzyloxy)phenylamino)quinazolin-6-yl)furan-2-carbaldehyde
- 388082-78-8
lapatinib ditosylate
| Conditions | Yield |
|---|---|
| Stage #1: 2-(methylsulfonyl)ethylamine hydrochloride; 5-(4-(3-chloro-4-(3-fluorobenzyloxy)phenylamino)quinazolin-6-yl)furan-2-carbaldehyde With tetrabutylammomium bromide; triethylamine In tetrahydrofuran at 30℃; for 3h; Stage #2: With sodium tris(acetoxy)borohydride In tetrahydrofuran at 20℃; for 4h; Stage #3: toluene-4-sulfonic acid In tetrahydrofuran at 50℃; for 1h; | 94.9% |
| Stage #1: 2-(methylsulfonyl)ethylamine hydrochloride; 5-(4-(3-chloro-4-(3-fluorobenzyloxy)phenylamino)quinazolin-6-yl)furan-2-carbaldehyde With acetic acid; N-ethyl-N,N-diisopropylamine In tetrahydrofuran at 20℃; for 3h; Stage #2: With sodium tris(acetoxy)borohydride In tetrahydrofuran at 20℃; for 12h; Stage #3: toluene-4-sulfonic acid In tetrahydrofuran at 20℃; for 12h; | 82.8% |
| Stage #1: 2-(methylsulfonyl)ethylamine hydrochloride; 5-(4-(3-chloro-4-(3-fluorobenzyloxy)phenylamino)quinazolin-6-yl)furan-2-carbaldehyde With acetic acid; N-ethyl-N,N-diisopropylamine In tetrahydrofuran; N,N-dimethyl-formamide at 35℃; for 1h; Stage #2: With sodium tris(acetoxy)borohydride In tetrahydrofuran; N,N-dimethyl-formamide at 20 - 25℃; for 2h; Stage #3: toluene-4-sulfonic acid | 72% |
| Stage #1: 2-(methylsulfonyl)ethylamine hydrochloride; 5-(4-(3-chloro-4-(3-fluorobenzyloxy)phenylamino)quinazolin-6-yl)furan-2-carbaldehyde With N-ethyl-N,N-diisopropylamine In tetrahydrofuran; acetic acid at 30 - 35℃; for 1h; Stage #2: With sodium tris(acetoxy)borohydride In tetrahydrofuran; acetic acid at 22℃; for 2 - 4h; Stage #3: toluene-4-sulfonic acid With sodium hydroxide In tetrahydrofuran; acetic acid |
2-Aminoethylmethylsulfone hydrochloride Specification
The Ethanamine,2-(methylsulfonyl)-, hydrochloride (1:1), with CAS registry number 104458-24-4, belongs to the following product category: Intermediate of lapatinib ditosylate. It has the systematic name of 2-(methylsulfonyl)ethanamine hydrochloride (1:1). And the chemical formula of this chemical is C3H9NO2S.HCl.
Physical properties of Ethanamine,2-(methylsulfonyl)-, hydrochloride (1:1): (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 2; (6)#H bond acceptors: 3; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 3; (9)Polar Surface Area: 68.54 Å2; (10)Enthalpy of Vaporization: 57.92 kJ/mol; (11)Vapour Pressure: 0.000163 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Cl.CS(=O)(=O)CCN
(2)InChI: InChI=1/C3H9NO2S.ClH/c1-7(5,6)3-2-4;/h2-4H2,1H3;1H
(3)InChIKey: AMYYUKGKCJKCBI-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C3H9NO2S.ClH/c1-7(5,6)3-2-4;/h2-4H2,1H3;1H
(5)Std. InChIKey: AMYYUKGKCJKCBI-UHFFFAOYSA-N
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