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Cas Database |
| Name |
5-((2-Aminoethyl)thiomethyl)-N,N-dimethyl-2-furanmethanamine |
EINECS | 266-330-4 |
| CAS No. | 66356-53-4 | Density | 1.094 g/cm3 |
| PSA | 67.70000 | LogP | 2.23340 |
| Solubility | Slightly soluble in water, soluble in ethanol, acetone | Melting Point |
96-97?°C(lit.) |
| Formula | C10H18N2OS | Boiling Point | 292.9 °C at 760 mmHg |
| Molecular Weight | 214.332 | Flash Point | 130.9 °C |
| Transport Information | N/A | Appearance | Light yellow or brown liquid |
| Safety | 26-36/37/39-45 | Risk Codes | 34-36/37/38 |
| Molecular Structure |
|
Hazard Symbols |
 C
|
| Synonyms |
2-(2-Aminoethylthiomethyl)-5-dimethylaminomethylfuran;2-(5-Dimethylaminomethyl-furan-2-yl methylsulfanyl)-ethylamine;5-(((2-Aminoethyl)thio)methyl)-N,N-dimethyl-2-furfurylamine;2-[({5-[(Dimethylamino)methyl]-2-furyl}methyl)sulfanyl]ethanamine;2-[({5-[(Dimethylamino)methyl]furan-2-yl}methyl)sulfanyl]ethanamine;AC1L4QVC;AC1Q7E8L;2-(5-Dimethylaminomethyl-furan-2-yl; |
Article Data | 11 |
5-((2-Aminoethyl)thiomethyl)-N,N-dimethyl-2-furanmethanamine Synthetic route
- 79589-16-5
5-[[(2-acetamidoethyl)thio]methyl]-N,N-dimethyl-2-furanmethanamine
- 66356-53-4
5-{[(2-aminoethyl)thio]methyl}-N,N-dimethyl-2-furfurylamine
| Conditions | Yield |
|---|---|
| In water for 2.5h; Reflux; Alkaline conditions; | 98% |
| With water; sodium hydroxide for 2.5h; Reflux; | 98% |
| With sodium hydroxide In water for 2h; Reflux; | 94% |
- 15433-79-1
(5-dimethylaminomethyl-furan-2-yl)-methanol
- 156-57-0
2-mercaptoethylamine hydrochloride
- 66356-53-4
5-{[(2-aminoethyl)thio]methyl}-N,N-dimethyl-2-furfurylamine
| Conditions | Yield |
|---|---|
| With hydrogenchloride; hydroquinone at 0℃; for 20h; | 72% |
| In hydrogenchloride | 56% |
| In methanol at 120 - 130℃; for 7h; |
- 870-24-6
2-chloroethanamine hydrochloride
- 134935-66-3
2-(N,N-dimethylaminomethyl)furyl-5-(methylthiosulfonic) acid
- 66356-53-4
5-{[(2-aminoethyl)thio]methyl}-N,N-dimethyl-2-furfurylamine
| Conditions | Yield |
|---|---|
| With sodium hydroxide; N-benzyl-N,N,N-triethylammonium chloride In acetonitrile for 5h; Ambient temperature; | 65% |
- 2937-53-3
2-aminoethylthiosulfonic acid
- 81074-81-9
5-[(dimethylamino)methyl]-furfuryl alcohol hydrochloride
- 66356-53-4
5-{[(2-aminoethyl)thio]methyl}-N,N-dimethyl-2-furfurylamine
| Conditions | Yield |
|---|---|
| With hydrogenchloride 1.) from 50 to 60 deg C, 2 h, 2.) RT, 16 h; Yield given. Multistep reaction; |
- 66357-35-5, 66357-59-3, 71130-06-8
ranitidine hydrochloride
A
- 72078-82-1
N-methylnitroacetamide
B
- 66356-53-4
5-{[(2-aminoethyl)thio]methyl}-N,N-dimethyl-2-furfurylamine
D
- 74-89-5
methylamine
| Conditions | Yield |
|---|---|
| With sodium hydroxide In water for 4h; Heating; | A 270 mg B 400 mg C 840 mg D 100 mg |
| With sodium hydroxide In water for 4h; Mechanism; Product distribution; Ambient temperature; Heating; pH > 9; | A 270 mg B 400 mg C 840 mg D 100 mg |
- 98-00-0
(2-furyl)methyl alcohol
- 66356-53-4
5-{[(2-aminoethyl)thio]methyl}-N,N-dimethyl-2-furfurylamine
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: 70 percent / ethanol / 10 h / Heating 2: 72 percent / conc. HCl, hydroquinone / 20 h / 0 °C View Scheme | |
| Multi-step reaction with 2 steps 1: methanol / 12 h / 70 - 80 °C 2: methanol / 7 h / 120 - 130 °C View Scheme | |
| Multi-step reaction with 2 steps 1: 2.5 h / 90 °C 2: hydrogenchloride / 12 h / 0 - 20 °C View Scheme |
- 81074-81-9
5-[(dimethylamino)methyl]-furfuryl alcohol hydrochloride
- 66356-53-4
5-{[(2-aminoethyl)thio]methyl}-N,N-dimethyl-2-furfurylamine
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: 91.5 percent / aq. sodium thiosulfate, NaOH / 1 h / 30 °C 2: 65 percent / 50percent aq. NaOH / triethylbenzylammonium chloride / acetonitrile / 5 h / Ambient temperature View Scheme |
- 1623-88-7
5-chloromethylfurfural
- 66356-53-4
5-{[(2-aminoethyl)thio]methyl}-N,N-dimethyl-2-furfurylamine
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 1.1: sodium hydride / tetrahydrofuran / 0.5 h / 20 °C / Inert atmosphere 1.2: 20 °C / Inert atmosphere 2.1: methanol / 1 h / 20 °C 2.2: 0.58 h / 0 - 20 °C 3.1: sodium hydroxide / water / 2 h / Reflux View Scheme | |
| Multi-step reaction with 3 steps 1.1: sodium hydride / tetrahydrofuran / 0.5 h / Inert atmosphere 1.2: 20 °C / Inert atmosphere 2.1: methanol / 0.67 h / 20 °C 2.2: 0.33 h / 0 °C 3.1: water / 2.5 h / Reflux; Alkaline conditions View Scheme | |
| Multi-step reaction with 3 steps 1.1: sodium hydride / tetrahydrofuran / 0.5 h / Schlenk technique; Inert atmosphere 1.2: 20 °C / Schlenk technique; Inert atmosphere 2.1: methanol / 0.67 h / 20 °C / Inert atmosphere 2.2: 0.33 h / 0 °C / Inert atmosphere 3.1: sodium hydroxide; water / 2.5 h / Reflux View Scheme |
- 1350914-20-3
5-[[(2-acetamidoethyl)thio]methyl]furfural
- 66356-53-4
5-{[(2-aminoethyl)thio]methyl}-N,N-dimethyl-2-furfurylamine
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1.1: methanol / 1 h / 20 °C 1.2: 0.58 h / 0 - 20 °C 2.1: sodium hydroxide / water / 2 h / Reflux View Scheme | |
| Multi-step reaction with 2 steps 1.1: methanol / 0.67 h / 20 °C 1.2: 0.33 h / 0 °C 2.1: water / 2.5 h / Reflux; Alkaline conditions View Scheme | |
| Multi-step reaction with 2 steps 1.1: methanol / 0.67 h / 20 °C / Inert atmosphere 1.2: 0.33 h / 0 °C / Inert atmosphere 2.1: sodium hydroxide; water / 2.5 h / Reflux View Scheme |
- 67-47-0
5-hydroxymethyl-2-furfuraldehyde
- 66356-53-4
5-{[(2-aminoethyl)thio]methyl}-N,N-dimethyl-2-furfurylamine
| Conditions | Yield |
|---|---|
| Multi-step reaction with 4 steps 1.1: hydrogenchloride / dichloromethane / 20 °C 2.1: sodium hydride / tetrahydrofuran / 0.5 h / Inert atmosphere 2.2: 20 °C / Inert atmosphere 3.1: methanol / 0.67 h / 20 °C 3.2: 0.33 h / 0 °C 4.1: water / 2.5 h / Reflux; Alkaline conditions View Scheme | |
| Multi-step reaction with 4 steps 1.1: hydrogenchloride / dichloromethane; water / 20 °C 2.1: sodium hydride / tetrahydrofuran / 0.5 h / Schlenk technique; Inert atmosphere 2.2: 20 °C / Schlenk technique; Inert atmosphere 3.1: methanol / 0.67 h / 20 °C / Inert atmosphere 3.2: 0.33 h / 0 °C / Inert atmosphere 4.1: sodium hydroxide; water / 2.5 h / Reflux View Scheme |
5-((2-Aminoethyl)thiomethyl)-N,N-dimethyl-2-furanmethanamine Specification
The 2-[([5-[(Dimethylamino)methyl]-2-furyl]methyl)thio]ethan-1-amine with CAS registry number of 66356-53-4 is also known as 5-((2-Aminoethyl)thiomethyl)-N,N-dimethyl-2-furanmethanamine. The IUPAC name is 2-[[5-[(Dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethanamine. It belongs to product categories of Sulphur Derivatives; Furans, Benzofurans & Dihydrobenzofurans; Amines; Heterocycles; Metabolites & Impurities; Sulfur & Selenium Compounds; Furans, Benzofurans & Dihydrobenzofurans. Its EINECS registry number is 266-330-4. In addition, the formula is C10H18N2OS and the molecular weight is 214.33. This chemical is a light yellow or brown liquid and should be sealed in cool, dry place away from oxidants and light at room temperature. What's more, it is used as ranitidine intermediate.
Physical properties about 2-[([5-[(Dimethylamino)methyl]-2-furyl]methyl)thio]ethan-1-amine are: (1)ACD/LogP: 0.83; (2)ACD/LogD (pH 5.5): -3.26; (3)ACD/LogD (pH 7.4): -1.72; (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): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 7; (11)Index of Refraction: 1.547; (12)Molar Refractivity: 62.17 cm3; (13)Molar Volume: 195.7 cm3; (14)Surface Tension: 42.3 dyne/cm; (15)Density: 1.094 g/cm3; (16)Flash Point: 130.9 °C; (17)Enthalpy of Vaporization: 53.24 kJ/mol; (18)Boiling Point: 292.9 °C at 760 mmHg; (19)Vapour Pressure: 0.00179 mmHg at 25 °C.
When you are using this chemical, please be cautious about it. As a chemical, it is irritating to eyes, respiratory system and skin. Besides, it can cause burns. During using it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice. In case of accident or if you feel unwell seek medical advice immediately.
You can still convert the following datas into molecular structure:
1. Canonical SMILES: CN(C)CC1=CC=C(O1)CSCCN
2. InChI: InChI=1S/C10H18N2OS/c1-12(2)7-9-3-4-10(13-9)8-14-6-5-11/h3-4H,5-8,11H2,1-2H3
3. InChIKey: JFGCGQJHMUYGLU-UHFFFAOYSA-N
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