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Basic Information
CAS No.: 60407-53-6
Name: alpha-(Aminomethyl)-2,5-dimethoxybenzenemethanol hydrochloride
Article Data: 2
Molecular Structure:
Molecular Structure of 60407-53-6 (alpha-(Aminomethyl)-2,5-dimethoxybenzenemethanol hydrochloride)
Formula: C10H15NO3.HCl
Molecular Weight: 233.695
Synonyms: [2-(2,5-dimethoxyphenyl)-2-hydroxy-ethyl]azanium chloride;ST 1059;BENZYL ALCOHOL, alpha-AMINOMETHYL-2,5-DIMETHOXY-, HYDROCHLORIDE;2-amino-1-(2,5-dimethoxyphenyl)ethanol;ST-1059;1-(2,5-Dimethoxyphenyl)-2-aminoethanol hydrochloride;beta-(2,5-Dimethoxyphenyl)-beta-hydroxyethylamine hydrochloride;1-(2,5-Dimethoxyphenyl)aminoethanol;Benzyl alcohol, alpha-(aminomethyl)-2,5-dimethoxy-;2-amino-1-(2',5'-dimethoxyphenyl)-ethanol HCL;alpha-(Aminomethyl)-2,5-dimethoxybenzenemethanol;3600-87-1;
Melting Point: 158.5 °C
Boiling Point: 364.3 °C at 760 mmHg
Flash Point: 174.1 °C
PSA: 64.71000
LogP: 2.19820
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60407-53-6

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Conditions
ConditionsYield
With hydrogen; palladium on activated charcoal In ethanol at 50℃; under 760 Torr;67%
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Conditions
ConditionsYield
With hydrogenchloride; lithium aluminium tetrahydride 1.) THF, reflux, 2 h, 2.) methanol, ether; Yield given. Multistep reaction;
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2,5-dimethoxybenzaldehyde

60407-53-6

1-(2',5'-dimethoxyphenyl)-2-aminoethanol hydrochloride

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: zinc iodide / 1 h / Ambient temperature
2: 1.) lithium aluminum hydride, 2.) HCl / 1.) THF, reflux, 2 h, 2.) methanol, ether
View Scheme
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2-bromo-2',5'-dimethoxyacetophenone

60407-53-6

1-(2',5'-dimethoxyphenyl)-2-aminoethanol hydrochloride

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: 93 percent / benzene / 5 h / Ambient temperature
2: 49 percent / NaBH4, 2 N aq. NaOH / methanol / 1 h / Ambient temperature
3: 67 percent / H2 / 10percent Pd/C / ethanol / 50 °C / 760 Torr
View Scheme
83436-58-2

2,5-dimethoxy-ω-(dibenzylamino)acetophenone hydrochloride

60407-53-6

1-(2',5'-dimethoxyphenyl)-2-aminoethanol hydrochloride

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 49 percent / NaBH4, 2 N aq. NaOH / methanol / 1 h / Ambient temperature
2: 67 percent / H2 / 10percent Pd/C / ethanol / 50 °C / 760 Torr
View Scheme
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1-(2',5'-dimethoxyphenyl)-2-aminoethanol hydrochloride

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N-(2-(2,5-Dimethoxyphenyl)-2-hydroxyethyl)-2-((1,1-dimethylethoxy)carbonylamino)essigsaeureamid

Conditions
ConditionsYield
With N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide at 20℃; for 12h;
13734-41-3

t-Boc-L-valine

60407-53-6

1-(2',5'-dimethoxyphenyl)-2-aminoethanol hydrochloride

C20H32N2O6

Conditions
ConditionsYield
With N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide at 20℃; for 12h;
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N-(tert-butyloxycarbonyl)-L-isoleucine

60407-53-6

1-(2',5'-dimethoxyphenyl)-2-aminoethanol hydrochloride

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Conditions
ConditionsYield
With N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide at 20℃; for 12h;
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N-tert-butoxycarbonyl-L-phenylalanine

60407-53-6

1-(2',5'-dimethoxyphenyl)-2-aminoethanol hydrochloride

C24H32N2O6

Conditions
ConditionsYield
With N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide at 20℃; for 12h;
60407-53-6

1-(2',5'-dimethoxyphenyl)-2-aminoethanol hydrochloride

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Boc-Tyr(t-Bu)-OH

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Conditions
ConditionsYield
With N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide at 20℃; for 12h;
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Chemistry

Molecule structure of alpha-(Aminomethyl)-2,5-dimethoxybenzyl alcohol hydrochloride (CAS NO.60407-53-6):

IUPAC Name: [2-(2,5-Dimethoxyphenyl)-2-hydroxyethyl]azanium chloride 
Molecular Weight: 233.69194 g/mol
Molecular Formula: C10H16ClNO3 
Melting Point: 158.5 °C
Flash Point: 174.1 °C
Enthalpy of Vaporization: 64.41 kJ/mol
Boiling Point: 364.3 °C at 760 mmHg
Vapour Pressure: 6.02E-06 mmHg at 25 °C
H-Bond Donor: 2
H-Bond Acceptor: 4
Rotatable Bond Count: 4
Exact Mass: 233.081871
MonoIsotopic Mass: 233.081871
Topological Polar Surface Area: 66.3
Heavy Atom Count: 15
Canonical SMILES: COC1=CC(=C(C=C1)OC)C(C[NH3+])O.[Cl-]
InChI: InChI=1S/C10H15NO3.ClH/c1-13-7-3-4-10(14-2)8(5-7)9(12)6-11;/h3-5,9,12H,6,11H2,1-2H3;1H
InChIKey: VOWFSTQCEXIMLP-UHFFFAOYSA-N
Classification Code of alpha-(Aminomethyl)-2,5-dimethoxybenzyl alcohol hydrochloride (CAS NO.60407-53-6): Drug / Therapeutic Agent

Toxicity Data With Reference

 

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 131mg/kg (131mg/kg) SENSE ORGANS AND SPECIAL SENSES: OTHER: EYE

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS		 Journal of Pharmacology and Experimental Therapeutics. Vol. 92, Pg. 283, 1948.
mouse LD50 intravenous 3770ug/kg (3.77mg/kg) SENSE ORGANS AND SPECIAL SENSES: OTHER CHANGES: OLFACTION

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: STIFFNESS		 Kiso to Rinsho. Clinical Report. Vol. 21, Pg. 529, 1987.
rat LD50 intravenous 1470ug/kg (1.47mg/kg) SENSE ORGANS AND SPECIAL SENSES: OTHER CHANGES: OLFACTION

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

SKIN AND APPENDAGES (SKIN): HAIR: OTHER		 Kiso to Rinsho. Clinical Report. Vol. 21, Pg. 529, 1987.

Specification

 alpha-(Aminomethyl)-2,5-dimethoxybenzyl alcohol hydrochloride (CAS NO.60407-53-6) is also named as 1-(2',5'-Dimethoxyphenyl)-2-aminoethanol hydrochloride ; beta-(2,5-Dimethoxyphenyl)-beta-hydroxyethylamine hydrochloride ;
Benzyl alcohol, alpha-aminomethyl-2,5-dimethoxy-, hydrochloride .