CAS No.62-31-7,3-Hydroxytyramine hydrochloride Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	62-31-7
Name:	3-Hydroxytyramine hydrochloride
Article Data:	12

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:	Xi
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

Conditions	Yield
With methanol; chloro-trimethyl-silane for 3h; Reflux;	100%

: 1699-54-3
3,4-bis(benzyloxy)-β-nitrostyrene

: 62-31-7
dopamine hydrochloride

Conditions

Conditions	Yield
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

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

: 645-31-8
3-hydroxytyramine hydrobromide

: 62-31-7
dopamine hydrochloride

Conditions

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%

: 1477-68-5
3-Methoxytyramine hydrochloride

: 62-31-7
dopamine hydrochloride

Conditions

Conditions	Yield
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

Conditions	Yield
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

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

...Expand

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

A: 62-31-7
dopamine hydrochloride

B: C44H36N4O12P2(2-)

Conditions

Conditions	Yield
In d(4)-methanol; water-d2 Equilibrium constant;

: 93-17-4
3,4-dimethoxyphenylacetonitrile

: 62-31-7
dopamine hydrochloride

Conditions

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

: C23H35NO8

: 62-31-7
dopamine hydrochloride

Conditions

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

Raw Materials

120-20-7

1699-54-3

37034-31-4

93-17-4

Downstream Products

525-72-4

51-61-6

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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: Irritant 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

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.