CAS No.770-05-8,DL-Octopamine hydrochloride Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	770-05-8
Name:	DL-Octopamine hydrochloride
Article Data:	2

Formula:	C₈H₁₂ClNO₂
Molecular Weight:	189.642
Synonyms:	Epirenor;NSC 108685;Octopamine DL-form hydrochloride;
EINECS:	212-216-4
Density:	1.39[at 20℃]
Melting Point:	169-171 °C
Boiling Point:	360.7 °C at 760 mmHg
Flash Point:	172 °C
Solubility:	soluble in water
Appearance:	solid
Hazard Symbols:	Xn, Xi
Risk Codes:	20/21/22-36/37/38
Safety:	36-37/39-26
Transport Information:	UN 3249
PSA:	66.48000
LogP:	1.88660

Synthetic route

: C8H11NO2*C7H8N2O*2ClH

A: 770-05-8
octopamine hydrochloride

B: 29711-57-7
N-methylnicotinamide hydrochloride

Conditions

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
With sodium hydrogencarbonate In methanol; water	85%
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

Conditions	Yield
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

Conditions	Yield
With sodium carbonate In water	81%

: 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

Conditions	Yield
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

Conditions	Yield
In N,N-dimethyl-formamide at 20℃; for 1h;	73%

: 24677-78-9
2,3-dihydroxybenzaldehyde

: 770-05-8
octopamine hydrochloride

: C15H15NO4

Conditions

Conditions	Yield
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

Conditions	Yield
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

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

Downstream Products

126395-31-1

302-84-1

Total:158 Page 1 of 5 1 2 3 4 5 Next>>

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Chemistry

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

Safety Profile

Hazard Codes: Harmful Xn, Irritant Xi
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

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.