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62-31-7

Basic Information
CAS No.: 62-31-7
Name: 3-Hydroxytyramine hydrochloride
Article Data: 12
Molecular Structure:
Molecular Structure of 62-31-7 (3-Hydroxytyramine hydrochloride)
Formula: C8H12ClNO2
Molecular Weight: 189.642
Synonyms: 1,2-Benzenediol,4-(2-aminoethyl)-, hydrochloride (9CI);Pyrocatechol, 4-(2-aminoethyl)-,hydrochloride (8CI);2-(3,4-Dihydroxyphenyl)ethylamine hydrochloride;3,4-Dihydroxy-b-phenethylaminehydrochloride;3,4-Dihydroxyphenethylamine hydrochloride;4-(2-Aminoethyl)-1,2-benzenediol hydrochloride;ASL 279;Cardiosteril;Dopamine chloride;Dopamine hydrochloride;Dopastat;Revivan;Tensamin;m-Hydroxytyramine hydrochloride;b-(3,4-Dihydroxyphenyl)ethylaminehydrochloride;
EINECS: 200-527-8
Density: 1.4 g/cm3
Melting Point: 248-250 °C(lit.)
Boiling Point: 337.7 °C at 760 mmHg
Flash Point: 158 °C
Solubility: Soluble in water
Appearance: off-white crystals
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36
PSA: 66.48000
LogP: 2.10130
Synthetic route
37034-31-4

N-(tert-butoxycarbonyl)dopamine

62-31-7

dopamine hydrochloride

Conditions
ConditionsYield
With methanol; chloro-trimethyl-silane for 3h; Reflux;100%
1699-54-3

3,4-bis(benzyloxy)-β-nitrostyrene

62-31-7

dopamine hydrochloride

Conditions
ConditionsYield
With hydrogenchloride; hydrogen; palladium on activated charcoal In ethanol under 760 Torr; for 24h; Ambient temperature;99%
120-20-7

2-(3,4-dimethoxyphenyl)-ethylamine

62-31-7

dopamine hydrochloride

Conditions
ConditionsYield
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
645-31-8

3-hydroxytyramine hydrobromide

62-31-7

dopamine hydrochloride

Conditions
ConditionsYield
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%
1477-68-5

3-Methoxytyramine hydrochloride

62-31-7

dopamine hydrochloride

Conditions
ConditionsYield
Stage #1: 3-Methoxytyramine hydrochloride With hydrogen bromide for 6h; Reflux;
Stage #2: With hydrogenchloride In water
69.81%

C8H11NO2*C7H8N2O*2ClH

A

62-31-7

dopamine hydrochloride

B

29711-57-7

N-methylnicotinamide hydrochloride

Conditions
ConditionsYield
at 28℃; Equilibrium constant; Thermodynamic data; association enthalpy: ΔH0 (kcal mol-1) = -3.2 (pH=1);

N-(N-acetyl-L-methionyl)-O,O-bis(ethoxycarbonyl)dopamine

A

102-32-9

3,4-dihydroxyphenylacetate

B

62-31-7

dopamine hydrochloride

C

dopamine-30-sulfate

dopamine-30-sulfate

Conditions
ConditionsYield
at 37℃; pharmacokinetic; concentrations of products in plasma after oral administration of title compound to dogs;

C44H36N4O12P2(2-)*C8H11NO2*H(1+)

A

62-31-7

dopamine hydrochloride

B

C44H36N4O12P2(2-)

Conditions
ConditionsYield
In d(4)-methanol; water-d2 Equilibrium constant;
93-17-4

3,4-dimethoxyphenylacetonitrile

62-31-7

dopamine hydrochloride

Conditions
ConditionsYield
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

C23H35NO8

62-31-7

dopamine hydrochloride

Conditions
ConditionsYield
Stage #1: C23H35NO8 With trifluoroacetic acid In dichloromethane
Stage #2: With hydrogenchloride In methanol; diethyl ether regioselective reaction;
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Chemistry

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

Toxicity Data With Reference

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.

Safety Profile

Hazard Codes: IrritantXi
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

Specification

  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.