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CAS No.: | 60407-53-6 |
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Name: | alpha-(Aminomethyl)-2,5-dimethoxybenzenemethanol hydrochloride |
Article Data: | 2 |
Molecular Structure: | |
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 |
2-Dibenzylamino-1-(2,5-dimethoxy-phenyl)-ethanol; hydrochloride
1-(2',5'-dimethoxyphenyl)-2-aminoethanol hydrochloride
Conditions | Yield |
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With hydrogen; palladium on activated charcoal In ethanol at 50℃; under 760 Torr; | 67% |
2-(2,5-dimethoxyphenyl)-2-trimethylsilyloxyacetonitrile
1-(2',5'-dimethoxyphenyl)-2-aminoethanol hydrochloride
Conditions | Yield |
---|---|
With hydrogenchloride; lithium aluminium tetrahydride 1.) THF, reflux, 2 h, 2.) methanol, ether; Yield given. Multistep reaction; |
2,5-dimethoxybenzaldehyde
1-(2',5'-dimethoxyphenyl)-2-aminoethanol hydrochloride
Conditions | Yield |
---|---|
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 |
2-bromo-2',5'-dimethoxyacetophenone
1-(2',5'-dimethoxyphenyl)-2-aminoethanol hydrochloride
Conditions | Yield |
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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 |
2,5-dimethoxy-ω-(dibenzylamino)acetophenone hydrochloride
1-(2',5'-dimethoxyphenyl)-2-aminoethanol hydrochloride
Conditions | Yield |
---|---|
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 |
BOC-glycine
1-(2',5'-dimethoxyphenyl)-2-aminoethanol hydrochloride
N-(2-(2,5-Dimethoxyphenyl)-2-hydroxyethyl)-2-((1,1-dimethylethoxy)carbonylamino)essigsaeureamid
Conditions | Yield |
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With N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide at 20℃; for 12h; |
Conditions | Yield |
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With N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide at 20℃; for 12h; |
N-(tert-butyloxycarbonyl)-L-isoleucine
1-(2',5'-dimethoxyphenyl)-2-aminoethanol hydrochloride
Conditions | Yield |
---|---|
With N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide at 20℃; for 12h; |
N-tert-butoxycarbonyl-L-phenylalanine
1-(2',5'-dimethoxyphenyl)-2-aminoethanol hydrochloride
Conditions | Yield |
---|---|
With N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide at 20℃; for 12h; |
1-(2',5'-dimethoxyphenyl)-2-aminoethanol hydrochloride
Boc-Tyr(t-Bu)-OH
Conditions | Yield |
---|---|
With N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide at 20℃; for 12h; |
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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
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. |
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 .