N-(tert-butoxycarbonyl)dopamine
dopamine hydrochloride
Conditions | Yield |
---|---|
With methanol; chloro-trimethyl-silane for 3h; Reflux; | 100% |
Conditions | Yield |
---|---|
With hydrogenchloride; hydrogen; palladium on activated charcoal In ethanol under 760 Torr; for 24h; Ambient temperature; | 99% |
Conditions | Yield |
---|---|
With hydrogenchloride; acetic acid In water at 160℃; for 6h; Inert atmosphere; | 98.6% |
With hydrogenchloride; water at 100℃; for 144h; | 76% |
With hydrogenchloride; sodium hypophosphite; ion-exchanger Dowex 50 X2-200; hydrogen bromide; isobutyric Acid for 2h; Heating; | |
Multi-step reaction with 3 steps 1: hydrogen bromide / ethanol / 0.5 h / 50 °C 2: hydrogen bromide / 5 h / 110 - 115 °C / Inert atmosphere 3: hydrogenchloride / isopropyl alcohol / 1 h / 80 °C / Inert atmosphere; Reflux View Scheme |
Conditions | Yield |
---|---|
With hydrogenchloride In water; isopropyl alcohol at 70 - 80℃; Inert atmosphere; | 93% |
With hydrogenchloride In isopropyl alcohol at 80℃; for 1h; Solvent; Inert atmosphere; Reflux; | 90.6% |
Conditions | Yield |
---|---|
Stage #1: 3-Methoxytyramine hydrochloride With hydrogen bromide for 6h; Reflux; Stage #2: With hydrogenchloride In water | 69.81% |
A
dopamine hydrochloride
B
N-methylnicotinamide hydrochloride
Conditions | Yield |
---|---|
at 28℃; Equilibrium constant; Thermodynamic data; association enthalpy: ΔH0 (kcal mol-1) = -3.2 (pH=1); |
Conditions | Yield |
---|---|
at 37℃; pharmacokinetic; concentrations of products in plasma after oral administration of title compound to dogs; |
Conditions | Yield |
---|---|
In d(4)-methanol; water-d2 Equilibrium constant; |
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1.1: diborane / tetrahydrofuran / 16 h / 55 °C / Inert atmosphere 1.2: 0 - 20 °C 2.1: hydrogenchloride; water / 144 h / 100 °C View Scheme |
dopamine hydrochloride
Conditions | Yield |
---|---|
Stage #1: C23H35NO8 With trifluoroacetic acid In dichloromethane Stage #2: With hydrogenchloride In methanol; diethyl ether regioselective reaction; |
Conditions | Yield |
---|---|
Multi-step reaction with 3 steps 1: ammonium formate; 5%-palladium/activated carbon / methanol / 60 - 65 °C / Inert atmosphere 2: hydrogen bromide / water / 110 - 120 °C / Inert atmosphere 3: hydrogenchloride / water; isopropyl alcohol / 70 - 80 °C / Inert atmosphere View Scheme |
Conditions | Yield |
---|---|
Multi-step reaction with 4 steps 1: methylamine hydrochloride; triethylamine / ethanol / 20 °C 2: ammonium formate; 5%-palladium/activated carbon / methanol / 60 - 65 °C / Inert atmosphere 3: hydrogen bromide / water / 110 - 120 °C / Inert atmosphere 4: hydrogenchloride / water; isopropyl alcohol / 70 - 80 °C / Inert atmosphere View Scheme |
dopamine hydrochloride
3-(3,4-dihydroxyphenyl)propanoic acid pentafluorophenyl ester
Conditions | Yield |
---|---|
With triethylamine In N,N-dimethyl-formamide for 2h; | 100% |
di-tert-butyl dicarbonate
dopamine hydrochloride
N-(tert-butoxycarbonyl)dopamine
Conditions | Yield |
---|---|
With sodium hydrogencarbonate In tetrahydrofuran; water at 20℃; for 2h; | 100% |
With sodium hydrogencarbonate In tetrahydrofuran; water at 20℃; for 2h; | 100% |
With triethylamine In methanol | 99% |
dopamine hydrochloride
acryloyl chloride
N-[2-(3,4-Dihydroxy-phenyl)-ethyl]acrylamide
Conditions | Yield |
---|---|
With triethylamine In tetrahydrofuran; methanol at 0 - 20℃; for 2h; | 100% |
With triethylamine In tetrahydrofuran; methanol at 20℃; pH=9; Cooling with ice; | 65% |
With triethylamine In tetrahydrofuran; methanol for 1h; Cooling with ice; | 57% |
With borax; sodium hydrogencarbonate; sodium hydroxide In tetrahydrofuran; water at 20℃; for 14h; pH=8; Inert atmosphere; | 54% |
With triethylamine In tetrahydrofuran; methanol at 20℃; for 1h; |
dopamine hydrochloride
chloroformic acid ethyl ester
ethyl (3,4-dihydroxyphenethyl)carbamate
Conditions | Yield |
---|---|
Stage #1: dopamine hydrochloride With sodium hydrogencarbonate In tetrahydrofuran; water at 20℃; for 1h; Stage #2: chloroformic acid ethyl ester In tetrahydrofuran; water at 20℃; for 5h; | 100% |
Conditions | Yield |
---|---|
With triethylamine In N,N-dimethyl-formamide for 16h; Inert atmosphere; | 100% |
dopamine hydrochloride
2,5-anhydro-D-mannose
1-(α-D-arabinofuranosyl)-6,7-dihydroxy-1,2,3,4-tetrahydroisoquinoline hydrochloride
Conditions | Yield |
---|---|
In water for 48h; Ambient temperature; | 98% |
for 48h; Ambient temperature; | 98% |
Conditions | Yield |
---|---|
With hydrogenchloride In methanol for 12h; Heating; | 98% |
Conditions | Yield |
---|---|
With (benzotriazo-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate; triethylamine In tetrahydrofuran Ambient temperature; | 98% |
With 2,4,6-tripropyl-1,3,5,2,4,6-trioxatriphosphinane-2,4,6-trioxide; triethylamine In dichloromethane; ethyl acetate at 0 - 20℃; for 0.5h; Inert atmosphere; | 35% |
dopamine hydrochloride
tert-butyldimethylsilyl chloride
2-(3,4-bis((tert-butyldimethylsilyl)oxy)phenyl)ethan-1-amine
Conditions | Yield |
---|---|
With 1H-imidazole In dichloromethane at 20℃; for 16h; Inert atmosphere; | 98% |
With 1H-imidazole In dichloromethane at 20℃; for 2h; | 95.8% |
With 1H-imidazole In dichloromethane at 20℃; Inert atmosphere; | 86% |
trifluoroacetic acid-methyl ester
dopamine hydrochloride
N-<2-(3,4-Dihydroxyphenyl)ethyl>trifluoracetamid
Conditions | Yield |
---|---|
With triethylamine In methanol at 20℃; Inert atmosphere; | 98% |
With triethylamine In methanol at 20℃; | 98% |
With triethylamine In methanol at 30℃; for 16h; | 92% |
With triethylamine In methanol at 20℃; for 12h; | 86% |
With triethylamine In methanol at 20℃; Sealed tube; | 82.2% |
dopamine hydrochloride
4-methyl-1H-imidazole-5-carbaldehyde
4-(2-(((4-methyl-1H-imidazol-5-yl)methylene)amino)ethyl)benzene-1,2-diol
Conditions | Yield |
---|---|
Stage #1: dopamine hydrochloride With triethylamine In ethanol for 0.5h; Stage #2: 4-methyl-1H-imidazole-5-carbaldehyde In ethanol for 4h; Reflux; | 98% |
Conditions | Yield |
---|---|
With hydrogenchloride In methanol for 12h; Heating; | 97% |
Conditions | Yield |
---|---|
With hydrogenchloride In methanol for 12h; Heating; | 97% |
dopamine hydrochloride
3-(3,5-Dihydroxy-phenyl)-propionic acid pentafluorophenyl ester
Conditions | Yield |
---|---|
With triethylamine In chloroform; N,N-dimethyl-formamide for 2h; Ambient temperature; | 97% |
Conditions | Yield |
---|---|
With (benzotriazo-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate; triethylamine In tetrahydrofuran Ambient temperature; | 97% |
Stage #1: cis-Octadecenoic acid With 1,1'-carbonyldiimidazole In dichloromethane at 20℃; for 0.5h; Stage #2: dopamine hydrochloride In dichloromethane for 12h; | 58% |
Conditions | Yield |
---|---|
With triethylamine In acetonitrile at 0 - 20℃; Inert atmosphere; | 97% |
1-[(2-oxazepan-1-yl)carbonyl]azepan-2-one
dopamine hydrochloride
Conditions | Yield |
---|---|
With triethylamine In N,N-dimethyl-formamide at 80℃; for 24h; Inert atmosphere; | 97% |
dopamine hydrochloride
Conditions | Yield |
---|---|
In ethanol at 20℃; for 24h; | 96% |
ethylenediaminetetraacetic dianhydride
dopamine hydrochloride
C26H34N4O10
Conditions | Yield |
---|---|
With triethylamine In N,N-dimethyl-formamide at 70℃; for 18h; Inert atmosphere; | 95% |
linoleic acid
dopamine hydrochloride
(Z,Z)-N-[2-(3,4-dihydroxyphenyl)ethyl]-octadeca-9,12-dienamide
Conditions | Yield |
---|---|
With (benzotriazo-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate; triethylamine In tetrahydrofuran Ambient temperature; | 94% |
Conditions | Yield |
---|---|
With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide at 20℃; for 16h; Inert atmosphere; | 94% |
dopamine hydrochloride
Conditions | Yield |
---|---|
With sodium hydrogencarbonate; potassium hexacyanoferrate(III) In water at 20 - 68℃; for 2h; Inert atmosphere; | 93.6% |
D-Glyceraldehyde
dopamine hydrochloride
(1'S)-1-(1',2'-dihydroxyethyl)-6,7-dihydroxy-1,2,3,4-tetrahydroisoquinoline
Conditions | Yield |
---|---|
In methanol Heating; | 93% |
In methanol 1) RT, overnight, 2) reflux, 2 d; | 93% |
Conditions | Yield |
---|---|
Stage #1: C32H47NO7 With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide at 0℃; for 0.05h; Stage #2: dopamine hydrochloride In N,N-dimethyl-formamide at 20℃; for 72h; | 93% |
D-Glucose
dopamine hydrochloride
6,7-dihydroxy-1-(D-gluco-pentitol-1'-yl)-1,2,3,4-tetrahydroisoquinoline hydrochloride
Conditions | Yield |
---|---|
In water for 48h; Heating; | 92% |
D-glucose
dopamine hydrochloride
6,7-dihydroxy-1-(D-gluco-pentitol-1'-yl)-1,2,3,4-tetrahydroisoquinoline hydrochloride
Conditions | Yield |
---|---|
In water for 48h; Heating; | 92% |
Molecular Structure of 3-Hydroxytyramine hydrochloride (CAS NO.62-31-7):
IUPAC Name: 4-(2-aminoethyl)benzene-1,2-diol hydrochloride
Empirical Formula: C8H12ClNO2
Molecular Weight: 189.6394
H bond acceptors: 3
H bond donors: 4
Freely Rotating Bonds: 5
Polar Surface Area: 21.7Å2
Flash Point: 158 °C
Enthalpy of Vaporization: 60.4 kJ/mol
Boiling Point: 337.7 °C at 760 mmHg
Vapour Pressure: 5.27E-05 mmHg at 25°C
Melting point: 248-250 °C(lit.)
Solubility alcohol: 20 mg/mL
Water Solubility: soluble
Sensitive: Air & Light Sensitive
Merck: 14,3421
BRN: 3656720
EINECS: 200-527-8
Product Categories: Anilines, Aromatic Amines and Nitro Compounds; Dopamine receptor
Stability: Stable. Incompatible with strong oxidizing agents. Combustible.
InChI
InChI=1/C8H11NO2.ClH/c9-4-3-6-1-2-7(10)8(11)5-6;/h1-2,5,10-11H,3-4,9H2;1H
Smiles
c1(cc(c(O)cc1)O)CCN.Cl
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
dog | LD50 | intravenous | 79mg/kg (79mg/kg) | SENSE ORGANS AND SPECIAL SENSES: MYDRIASIS (PUPILLARY DILATION): EYE BEHAVIORAL: ATAXIA GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA" | Arzneimittel-Forschung. Drug Research. Vol. 28, Pg. 2208, 1978. |
man | TDLo | intravenous | 1429ug/kg (1.429mg/kg) | SENSE ORGANS AND SPECIAL SENSES: MYDRIASIS (PUPILLARY DILATION): EYE | Critical Care Medicine. Vol. 9, Pg. 658, 1981. |
mouse | LD50 | intraperitoneal | 914mg/kg (914mg/kg) | SENSE ORGANS AND SPECIAL SENSES: OTHER CHANGES: OLFACTION BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: DYSPNEA | Kiso to Rinsho. Clinical Report. Vol. 8, Pg. 2311, 1974. |
mouse | LD50 | intravenous | 156mg/kg (156mg/kg) | SENSE ORGANS AND SPECIAL SENSES: OTHER CHANGES: OLFACTION LUNGS, THORAX, OR RESPIRATION: DYSPNEA BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD | Kiso to Rinsho. Clinical Report. Vol. 8, Pg. 2311, 1974. |
mouse | LD50 | oral | 4361mg/kg (4361mg/kg) | SENSE ORGANS AND SPECIAL SENSES: OTHER CHANGES: OLFACTION LUNGS, THORAX, OR RESPIRATION: DYSPNEA BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD | Kiso to Rinsho. Clinical Report. Vol. 8, Pg. 2311, 1974. |
mouse | LD50 | subcutaneous | 1366mg/kg (1366mg/kg) | SENSE ORGANS AND SPECIAL SENSES: OTHER CHANGES: OLFACTION BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: DYSPNEA | Kiso to Rinsho. Clinical Report. Vol. 8, Pg. 2311, 1974. |
rabbit | LD50 | intravenous | 90mg/kg (90mg/kg) | SENSE ORGANS AND SPECIAL SENSES: OTHER CHANGES: OLFACTION BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: DYSPNEA | Kiso to Rinsho. Clinical Report. Vol. 8, Pg. 2311, 1974. |
rat | LD50 | intraperitoneal | 597mg/kg (597mg/kg) | SENSE ORGANS AND SPECIAL SENSES: OTHER CHANGES: OLFACTION LUNGS, THORAX, OR RESPIRATION: DYSPNEA BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD | Kiso to Rinsho. Clinical Report. Vol. 8, Pg. 2311, 1974. |
rat | LD50 | intravenous | 4800ug/kg (4.8mg/kg) | SENSE ORGANS AND SPECIAL SENSES: OTHER CHANGES: OLFACTION BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: DYSPNEA | Kiso to Rinsho. Clinical Report. Vol. 8, Pg. 2311, 1974. |
rat | LD50 | oral | 2859mg/kg (2859mg/kg) | SENSE ORGANS AND SPECIAL SENSES: OTHER CHANGES: OLFACTION BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: DYSPNEA | Kiso to Rinsho. Clinical Report. Vol. 8, Pg. 2311, 1974. |
rat | LD50 | subcutaneous | 647mg/kg (647mg/kg) | SENSE ORGANS AND SPECIAL SENSES: OTHER CHANGES: OLFACTION BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: DYSPNEA | Kiso to Rinsho. Clinical Report. Vol. 8, Pg. 2311, 1974. |
Hazard Codes: Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing.
WGK Germany: 2
RTECS: UX1092000
F: 8-10-23
Hazard Note: Irritant
HS Code: 29222900
3-Hydroxytyramine hydrochloride , with CAS number of 62-31-7, can be called .beta.-(3,4-Dihydroxyphenyl)ethylamine hydrochloride ; 1,2-Benzenediol, 4- (2-aminoethyl)-, hydrochloride ; 1,2-benzenediol, 4-(2-aminoethyl)-, hydrochloride (1:1) ; 4-(2-aminoéthyl)benzène-1,2-diol chlorhydrate ; 4-(2-aminoethyl)-Pyrocatechol hydrochloride . It is an off-white crystal.
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