CAS No.1477-68-5,3-O-Methyldopamine hydrochloride Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	1477-68-5
Name:	3-O-Methyldopamine hydrochloride
Article Data:	8

Formula:	C₉H₁₃NO₂.ClH
Molecular Weight:	203.669
Synonyms:	2-Methoxytyramine hydrochloride;3-Methoxy-4-hydroxyphenethylamine hydrochloride;Guaiacol,4-(2-aminoethyl)-, hydrochloride (6CI);Phenol, 4-(2-aminoethyl)-2-methoxy-,hydrochloride (8CI,9CI);4-Hydroxy-3-methoxyphenethylaminehydrochloride;4-Hydroxy-3-methoxy-b-phenethylamine hydrochloride;4-(2-Aminoethyl)-2-methoxyphenol hydrochloride;
EINECS:	216-035-1
Melting Point:	213-215 °C(lit.)
Boiling Point:	304.5 °C at 760 mmHg
Flash Point:	138 °C
Appearance:	light beige crystalline solid
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36
PSA:	55.48000
LogP:	2.40430

Synthetic route

: 4468-59-1
4-hydroxy-3-methoxyphenylacetonitrile

: 1477-68-5
3-Methoxytyramine hydrochloride

Conditions

Conditions	Yield
With hydrogenchloride; hydrogen; palladium on activated charcoal In ethanol at 20℃; for 12h;	82%
With hydrogenchloride; hydrogen; palladium on activated charcoal In ethanol under 7600 - 11400 Torr; for 1.5h;	75%

: 6178-42-3
vanillalnitromethane

: 1477-68-5
3-Methoxytyramine hydrochloride

Conditions

Conditions	Yield
With hydrogenchloride; hydrogen; palladium on activated charcoal In ethanol at 0℃; under 760 Torr;	81%
With hydrogenchloride; zinc In ethanol; water at 40 - 60℃; for 3h;	67.08%
Multi-step reaction with 2 steps 1.1: sodium tetrahydroborate / 1,4-dioxane; ethanol / 20 °C 2.1: hydrogenchloride; zinc / ethyl acetate; water / 3 h / 50 - 70 °C 2.2: 2 h / -20 °C View Scheme

: 63909-38-6, 1860-56-6
3-methoxy-4-benzyloxy-ω-nitrostyrolene

: 1477-68-5
3-Methoxytyramine hydrochloride

Conditions

Conditions	Yield
With hydrogenchloride; hydrogen; iron(III) chloride; platinum In water for 4h;	76%

: 528594-30-1
2-methoxy-4-(2-nitroethyl)phenol

: 1477-68-5
3-Methoxytyramine hydrochloride

Conditions

Conditions	Yield
Stage #1: 2-methoxy-4-(2-nitroethyl)phenol With hydrogenchloride; zinc In water; ethyl acetate at 50 - 70℃; for 3h; Stage #2: With hydrogenchloride In methanol at -20℃; for 2h;	72%
Stage #1: 2-methoxy-4-(2-nitroethyl)phenol With palladium 10% on activated carbon; hydrogen In ethanol at 20℃; Stage #2: With hydrogenchloride In water	31%

: 2426-87-1
3-methoxy-4-(phenylmethoxy)benzaldehyde

: 1477-68-5
3-Methoxytyramine hydrochloride

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: 71 percent / KOH, tetrabutylammonium bromide / ethanol / 1 h / 0 °C 2: 85 percent / AcONa. Ac2O / 0.08 h / Heating 3: 76 percent / conc. aq. HCl, FeCl3, H2 / Pt black / H2O / 4 h View Scheme
Multi-step reaction with 2 steps 1: 72 percent / KOH / aq. ethanol / 2 h / 0 °C 2: 76 percent / conc. aq. HCl, FeCl3, H2 / Pt black / H2O / 4 h View Scheme

: 60372-07-8
1-(3-methoxy-4-benzyloxyphenyl)-2-nitroethanol

: 1477-68-5
3-Methoxytyramine hydrochloride

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 85 percent / AcONa. Ac2O / 0.08 h / Heating 2: 76 percent / conc. aq. HCl, FeCl3, H2 / Pt black / H2O / 4 h View Scheme

: 121-33-5
vanillin

<4-oxy-3-methoxy-phenyl>-bis-<4-dimethylamino-phenyl>-methane: <4-oxy-3-methoxy-phenyl>-bis-<4-dimethylamino-phenyl>-methane

: 1477-68-5
3-Methoxytyramine hydrochloride

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1: 100 percent / K2CO3, tetrabutylammonium bromide / dimethylformamide / 5 h / 18 - 20 °C 2: 71 percent / KOH, tetrabutylammonium bromide / ethanol / 1 h / 0 °C 3: 85 percent / AcONa. Ac2O / 0.08 h / Heating 4: 76 percent / conc. aq. HCl, FeCl3, H2 / Pt black / H2O / 4 h View Scheme
Multi-step reaction with 3 steps 1: 100 percent / K2CO3, tetrabutylammonium bromide / dimethylformamide / 5 h / 18 - 20 °C 2: 72 percent / KOH / aq. ethanol / 2 h / 0 °C 3: 76 percent / conc. aq. HCl, FeCl3, H2 / Pt black / H2O / 4 h View Scheme

: 498-00-0
4-hydroxymethyl-2-methoxyphenol

: 1477-68-5
3-Methoxytyramine hydrochloride

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 60 percent / dimethylformamide / 20 h / 130 °C 2: 82 percent / H2; HCl / Pd/C / ethanol / 12 h / 20 °C View Scheme

: 29121-49-1
2-(4-hydroxy-3-methoxyphenyl)acetamide

: 1477-68-5
3-Methoxytyramine hydrochloride

Conditions

Conditions	Yield
Stage #1: 2-(4-hydroxy-3-methoxyphenyl)acetamide With borane-THF In tetrahydrofuran at 0℃; for 8h; Reflux; Stage #2: With hydrogenchloride In water for 3h; Reflux;	54.2 g

: 121-33-5
vanillin

: 1477-68-5
3-Methoxytyramine hydrochloride

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1.1: methanol; methylamine / 2 h / 50 °C 2.1: sodium tetrahydroborate / 1,4-dioxane; ethanol / 20 °C 3.1: hydrogenchloride; zinc / ethyl acetate; water / 3 h / 50 - 70 °C 3.2: 2 h / -20 °C View Scheme
Multi-step reaction with 3 steps 1: ethylenediamine / 4 h / Reflux 2: sodium tetrahydroborate / tetrahydrofuran; methanol / 0 - 20 °C 3: palladium 10% on activated carbon; hydrogen / ethanol / 20 °C View Scheme

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Specification

This chemical is called 5-(2-Aminoethyl)guaiacol hydrochloride, and its systematic name is 2-(4-hydroxy-3-methoxyphenyl)ethanaminium chloride. With the molecular formula of C₉H₁₃NO₂.ClH, its CAS registry number of this chemical is 1477-68-5. It's often used as intermediate for dopamine. Additionally, this chemcial should be stored at the temperature of -20 °C.

Other characteristics of the 5-(2-Aminoethyl)guaiacol hydrochloride can be summarised as followings: (1)ACD/LogP: 0.43; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 3; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 18.46 Å²; (7)Flash Point: 138 °C; (8)Enthalpy of Vaporization: 56.66 kJ/mol; (9)Boiling Point: 304.5 °C at 760 mmHg; (10)Vapour Pressure: 0.000484 mmHg at 25°C.

Production method of this chemical: The 5-(2-Aminoethyl)guaiacol hydrochloride could be obtained by the reactant of 4-benzyloxy-3-methoxy-b-nitro-styrene. This reaction needs the reagents of conc. aq. HCl, FeCl₃, H₂, and the catalyst of Pt black. The yield is 76 %. In addition, this reaction should be taken for 4 hours.

Uses of this chemical: The 5-(2-Aminoethyl)guaiacol hydrochloride could react with nonanoic acid 2,5-dioxo-pyrrolidin-1-yl ester, and obtain the N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]nonanamide. This reaction needs the reagent of Et₃N, and the solvent of ethyl acetate. The yield is 46 %. In addition, this reaction should be taken for 12 hours.

When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
1.SMILES: [Cl-].Oc1ccc(cc1OC)CC[NH3+]
2.InChI: InChI=1/C9H13NO2.ClH/c1-12-9-6-7(4-5-10)2-3-8(9)11;/h2-3,6,11H,4-5,10H2,1H3;1H
3.InChIKey: AWRIOTVUTPLWLF-UHFFFAOYAN