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DL-Octopamine hydrochloride
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Name

DL-Octopamine hydrochloride

 EINECS 212-216-4
CAS No. 770-05-8 Density 1.39[at 20℃]
PSA 66.48000 LogP 1.88660
Solubility soluble in water Melting Point 169-171 °C
Formula C8H12ClNO2 Boiling Point 360.7 °C at 760 mmHg
Molecular Weight 189.642 Flash Point 172 °C
Transport Information UN 3249 Appearance solid
Safety 36-37/39-26 Risk Codes 20/21/22-36/37/38
Molecular Structure Molecular Structure of 770-05-8 (DL-Octopamine hydrochloride) Hazard Symbols HarmfulXn, IrritantXi
Synonyms

Epirenor;NSC 108685;Octopamine DL-form hydrochloride;

Article Data 2

DL-Octopamine hydrochloride Synthetic route

C8H11NO2*C7H8N2O*2ClH

A

770-05-8

octopamine hydrochloride

B

29711-57-7

N-methylnicotinamide hydrochloride

Conditions
ConditionsYield
at 28℃; Equilibrium constant; Thermodynamic data; association enthalpy: ΔH0 (kcal mol-1) = -2.6 (pH=1); -2.3 (pH=7);
770-05-8

octopamine hydrochloride

145013-05-4

tert-butyl N-({[(tert-butoxy)carbonyl]amino}methanethioyl)carbamate

1037078-73-1, 1427086-29-0

C19H29N3O6

Conditions
ConditionsYield
With triethylamine; mercury dichloride In DMF (N,N-dimethyl-formamide)99%
24424-99-5

di-tert-butyl dicarbonate

770-05-8

octopamine hydrochloride

126395-31-1

tert-butyl (2-hydroxy-2-(4-hydroxyphenyl)ethyl)carbamate

Conditions
ConditionsYield
With sodium hydrogencarbonate In methanol; water85%
With triethylamine In methanol at 20℃;80%
With sodium hydroxide In water; tert-butyl alcohol at 20℃; for 16h;56%
770-05-8

octopamine hydrochloride

152120-54-2, 862686-58-6, 1143572-00-2

N,N'-bis( tert-butoxycarbonyl)-1H-pyrazole-1-carboxamidine

1037078-73-1

tert-butyl [(Z)-[(tert-butoxycarbonyl)amino]{[2-hydroxy-2-(4-hydroxyphenyl)ethyl]amino}methylidene]carbamate

Conditions
ConditionsYield
With N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide at 20℃; for 1h;81.4%
22509-74-6

N-ethoxycarbonylphthalimide

770-05-8

octopamine hydrochloride

4-(2-N-phthaloyl-1-hydroxyethyl)phenol

Conditions
ConditionsYield
With sodium carbonate In water81%
770-05-8

octopamine hydrochloride

183583-61-1

4-O-(β-D-galactopyranosyl)-N-chloroacetyl-β-D-glucopyranosylamine

N-{N-[DL-2-hydroxy-2-(4-hydroxyphenyl)ethyl]glycyl}-4-O-(β-D-galactopyranosyl)-β-D-glucopyranosylamine

Conditions
ConditionsYield
With triethylamine In methanol; dimethyl sulfoxide at 70℃; for 22h; Alkylation;79%
770-05-8

octopamine hydrochloride

152120-54-2, 862686-58-6, 1143572-00-2

(Z)-tert-butyl (((tert-butoxycarbonyl)imino)(1H-pyrazol-1-yl)methyl)carbamate

1037078-73-1

tert-butyl [(Z)-[(tert-butoxycarbonyl)amino]{[2-hydroxy-2-(4-hydroxyphenyl)ethyl]amino}methylidene]carbamate

Conditions
ConditionsYield
In N,N-dimethyl-formamide at 20℃; for 1h;73%
24677-78-9

2,3-dihydroxybenzaldehyde

770-05-8

octopamine hydrochloride

C15H15NO4

Conditions
ConditionsYield
With triethylamine In methanol at 20℃; for 3h;70.2%

N-butoxycarbonyl-(L)-valine

770-05-8

octopamine hydrochloride

E-L-Val-p-(2-aminoethenyl)phenol

Conditions
ConditionsYield
Stage #1: N-butoxycarbonyl-(L)-valine; octopamine hydrochloride With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine In dichloromethane at 25℃;
Stage #2: With pyridine; acetic anhydride at 100℃; for 1h; Further stages;		69%
770-05-8

octopamine hydrochloride

108-95-2

phenol

3516-08-3

4,4'-(2-amino-ethylidene)-di-phenol; hydrochloride

Conditions
ConditionsYield
With hydrogenchloride In Dimethyl ether at 100℃;68%

DL-Octopamine hydrochloride Chemical Properties

Molecule structure of Octopamine DL-form hydrochloride (CAS NO.770-05-8):

IUPAC Name: 4-(2-Amino-1-hydroxyethyl)phenol hydrochloride 
Molecular Weight: 189.63938 g/mol
Molecular Formula: C8H12ClNO2 
Melting Point: ~170 °C (dec.)(lit.)
Flash Point: 172 °C
Enthalpy of Vaporization: 63.99 kJ/mol
Boiling Point: 360.7 °C at 760 mmHg
Vapour Pressure: 7.82E-06 mmHg at 25 °C 
Water Solubility: soluble
H-Bond Donor: 4
H-Bond Acceptor: 3
Rotatable Bond Count: 2
Tautomer Count: 2
Exact Mass: 189.055656
MonoIsotopic Mass: 189.055656
Topological Polar Surface Area: 66.5
Heavy Atom Count: 12
Canonical SMILES: C1=CC(=CC=C1C(CN)O)O.Cl
InChI: InChI=1S/C8H11NO2.ClH/c9-5-8(11)6-1-3-7(10)4-2-6;/h1-4,8,10-11H,5,9H2;1H
InChIKey: PUMZXCBVHLCWQG-UHFFFAOYSA-N
EINECS: 212-216-4
Product Categories: Miscellaneous Natural Products; Adrenoceptor

DL-Octopamine hydrochloride Safety Profile

Hazard Codes: HarmfulXn, IrritantXi
Risk Statements: 20/21/22-36/37/38 
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed. 
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 36-37/39-26 
S36:Wear suitable protective clothing. 
S37/39:Wear suitable gloves and eye/face protection. 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
RIDADR: 3249
WGK Germany: 3
HazardClass: 6.1(b)
PackingGroup: III

DL-Octopamine hydrochloride Specification

 Octopamine DL-form hydrochloride (CAS NO.770-05-8) is also named as D,L-Octopamine hydrochloride ; Octopamine DL-form HCl ; DL-alpha-(Aminomethyl)-p-hydroxybenzylic alcohol hydrochloride ; 4-(2-amino-1-hydroxyethyl)phenol hydrochloride ; 4-(2-Amino-1-hydroxyethyl)phenol hydrochloride (1:1) ; benzenemethanol, alpha-(aminomethyl)-4-hydroxy-, hydrochloride (1:1) . Octopamine DL-form hydrochloride (CAS NO.770-05-8) is white or off-white solid.

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