CAS No.66356-53-4,5-[[(2-Aminoethyl)thio]methyl]-N,N-dimethyl-2-furfurylamine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	66356-53-4
Name:	5-[[(2-Aminoethyl)thio]methyl]-N,N-dimethyl-2-furfurylamine
Article Data:	11

Formula:	C₁₀H₁₈N₂OS
Molecular Weight:	214.332
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;
EINECS:	266-330-4
Density:	1.094 g/cm³
Melting Point:	96-97?°C(lit.)
Boiling Point:	292.9 °C at 760 mmHg
Flash Point:	130.9 °C
Solubility:	Slightly soluble in water, soluble in ethanol, acetone
Appearance:	Light yellow or brown liquid
Hazard Symbols:	C
Risk Codes:	34-36/37/38
Safety:	26-36/37/39-45
PSA:	67.70000
LogP:	2.23340

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

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

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

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

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

C: sodium 1-<2-(5-dimethylaminomethylfurfurylthio)ethylamino>-2-nitroethenoxide

D: 74-89-5
methylamine

Conditions

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

...Expand

: 98-00-0
(2-furyl)methyl alcohol

: 66356-53-4
5-{[(2-aminoethyl)thio]methyl}-N,N-dimethyl-2-furfurylamine

Conditions

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

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

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

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

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

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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