alpha-(Aminomethyl)-2,5-dimethoxybenzyl alcohol hydrochloride supplier

Name
alpha-(Aminomethyl)-2,5-dimethoxybenzenemethanol hydrochloride
EINECS
CAS No. 60407-53-6
Article Data2
CAS DataBase
Density
Solubility
Melting Point 158.5 °C
Formula C₁₀H₁₅NO₃^.HCl
Boiling Point 364.3 °C at 760 mmHg
Molecular Weight 233.695
Flash Point 174.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
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;
PSA 64.71000
LogP 2.19820

Synthetic route

: 83436-61-7
2-Dibenzylamino-1-(2,5-dimethoxy-phenyl)-ethanol; hydrochloride

: 60407-53-6
1-(2',5'-dimethoxyphenyl)-2-aminoethanol hydrochloride

Conditions

Conditions	Yield
With hydrogen; palladium on activated charcoal In ethanol at 50℃; under 760 Torr;	67%

: 141367-35-3
2-(2,5-dimethoxyphenyl)-2-trimethylsilyloxyacetonitrile

: 60407-53-6
1-(2',5'-dimethoxyphenyl)-2-aminoethanol hydrochloride

Conditions

Conditions	Yield
With hydrogenchloride; lithium aluminium tetrahydride 1.) THF, reflux, 2 h, 2.) methanol, ether; Yield given. Multistep reaction;

: 93-02-7
2,5-dimethoxybenzaldehyde

: 60407-53-6
1-(2',5'-dimethoxyphenyl)-2-aminoethanol hydrochloride

Conditions

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

: 1204-21-3
2-bromo-2',5'-dimethoxyacetophenone

: 60407-53-6
1-(2',5'-dimethoxyphenyl)-2-aminoethanol hydrochloride

Conditions

Conditions	Yield
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

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

: 4530-20-5
BOC-glycine

: 60407-53-6
1-(2',5'-dimethoxyphenyl)-2-aminoethanol hydrochloride

: 176851-43-7
N-(2-(2,5-Dimethoxyphenyl)-2-hydroxyethyl)-2-((1,1-dimethylethoxy)carbonylamino)essigsaeureamid

Conditions

Conditions	Yield
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

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

: 13139-16-7
N-(tert-butyloxycarbonyl)-L-isoleucine

: 60407-53-6
1-(2',5'-dimethoxyphenyl)-2-aminoethanol hydrochloride

: C21H34N2O6

Conditions

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

: 13734-34-4
N-tert-butoxycarbonyl-L-phenylalanine

: 60407-53-6
1-(2',5'-dimethoxyphenyl)-2-aminoethanol hydrochloride

: C24H32N2O6

Conditions

Conditions	Yield
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

: 47375-34-8
Boc-Tyr(t-Bu)-OH

: C28H40N2O7

Conditions

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

: 21947-98-8, 87494-13-1
N-tert-butyloxycarbonyl-S-trityl-L-cysteine

: 60407-53-6
1-(2',5'-dimethoxyphenyl)-2-aminoethanol hydrochloride

: C37H42N2O6S

Conditions

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

: 15761-39-4
1-(tert-butoxycarbonyl)-L-proline

: 60407-53-6
1-(2',5'-dimethoxyphenyl)-2-aminoethanol hydrochloride

: C20H30N2O6

Conditions

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

: 13726-84-6
Boc-Glu(OtBu)-OH

: 60407-53-6
1-(2',5'-dimethoxyphenyl)-2-aminoethanol hydrochloride

: C24H38N2O8

Conditions

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

: 2483-46-7
Boc-Lys(Boc)-OH

: 60407-53-6
1-(2',5'-dimethoxyphenyl)-2-aminoethanol hydrochloride

: C26H43N3O8

Conditions

Conditions	Yield
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

: C15H24N2O4

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: diisopropylethylamine; HOBt.H2O; WSCDI / dimethylformamide / 12 h / 20 °C 2: HCl / dioxane / 2 h / 20 °C View Scheme

: 60407-53-6
1-(2',5'-dimethoxyphenyl)-2-aminoethanol hydrochloride

: C16H26N2O4

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: diisopropylethylamine; HOBt.H2O; WSCDI / dimethylformamide / 12 h / 20 °C 2: HCl / dioxane / 2 h / 20 °C View Scheme

: 60407-53-6
1-(2',5'-dimethoxyphenyl)-2-aminoethanol hydrochloride

: C19H24N2O4

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: diisopropylethylamine; HOBt.H2O; WSCDI / dimethylformamide / 12 h / 20 °C 2: HCl / dioxane / 2 h / 20 °C View Scheme

: 60407-53-6
1-(2',5'-dimethoxyphenyl)-2-aminoethanol hydrochloride

: C19H24N2O5

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: diisopropylethylamine; HOBt.H2O; WSCDI / dimethylformamide / 12 h / 20 °C 2: HCl / dioxane / 2 h / 20 °C View Scheme

: 60407-53-6
1-(2',5'-dimethoxyphenyl)-2-aminoethanol hydrochloride

: C13H20N2O4S

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: diisopropylethylamine; HOBt.H2O; WSCDI / dimethylformamide / 12 h / 20 °C 2: HCl / dioxane / 2 h / 20 °C View Scheme

: 60407-53-6
1-(2',5'-dimethoxyphenyl)-2-aminoethanol hydrochloride

: C15H22N2O4

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: diisopropylethylamine; HOBt.H2O; WSCDI / dimethylformamide / 12 h / 20 °C 2: HCl / dioxane / 2 h / 20 °C View Scheme

: 60407-53-6
1-(2',5'-dimethoxyphenyl)-2-aminoethanol hydrochloride

: C15H22N2O6

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: diisopropylethylamine; HOBt.H2O; WSCDI / dimethylformamide / 12 h / 20 °C 2: HCl / dioxane / 2 h / 20 °C View Scheme

: 60407-53-6
1-(2',5'-dimethoxyphenyl)-2-aminoethanol hydrochloride

: C16H27N3O4

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: diisopropylethylamine; HOBt.H2O; WSCDI / dimethylformamide / 12 h / 20 °C 2: HCl / dioxane / 2 h / 20 °C View Scheme

: 60407-53-6
1-(2',5'-dimethoxyphenyl)-2-aminoethanol hydrochloride

: 42794-76-3
midodrine

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: diisopropylethylamine; HOBt.H2O; WSCDI / dimethylformamide / 12 h / 20 °C 2: HCl / dioxane / 2 h / 20 °C View Scheme

: 60407-53-6
1-(2',5'-dimethoxyphenyl)-2-aminoethanol hydrochloride

: 79-04-9
chloroacetyl chloride

: 60681-99-4
2-chloro-N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]acetamide

Conditions

Conditions	Yield
Stage #1: 1-(2',5'-dimethoxyphenyl)-2-aminoethanol hydrochloride With potassium hydroxide In dichloromethane; water at 5 - 10℃; for 0.25h; Stage #2: chloroacetyl chloride at 25 - 30℃; for 1h; pH=3 - 6;

alpha-(Aminomethyl)-2,5-dimethoxybenzyl alcohol hydrochloride Chemical Properties

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

alpha-(Aminomethyl)-2,5-dimethoxybenzyl alcohol hydrochloride 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.

alpha-(Aminomethyl)-2,5-dimethoxybenzyl alcohol hydrochloride 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 .

Product Name

alpha-(Aminomethyl)-2,5-dimethoxybenzenemethanol hydrochloride

Synthetic route

alpha-(Aminomethyl)-2,5-dimethoxybenzyl alcohol hydrochloride Chemical Properties

alpha-(Aminomethyl)-2,5-dimethoxybenzyl alcohol hydrochloride Toxicity Data With Reference

alpha-(Aminomethyl)-2,5-dimethoxybenzyl alcohol hydrochloride Specification

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