Product Name

  • Name

    DL-Octopamine hydrochloride

  • EINECS 212-216-4
  • CAS No. 770-05-8
  • Article Data2
  • CAS DataBase
  • Density 1.39[at 20℃]
  • 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;
  • PSA 66.48000
  • LogP 1.88660

Synthetic route

C8H11NO2*C7H8N2O*2ClH

C8H11NO2*C7H8N2O*2ClH

A

octopamine hydrochloride
770-05-8

octopamine hydrochloride

B

N-methylnicotinamide hydrochloride
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);
octopamine hydrochloride
770-05-8

octopamine hydrochloride

tert-butyl N-({[(tert-butoxy)carbonyl]amino}methanethioyl)carbamate
145013-05-4

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

C19H29N3O6
1037078-73-1, 1427086-29-0

C19H29N3O6

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

di-tert-butyl dicarbonate

octopamine hydrochloride
770-05-8

octopamine hydrochloride

tert-butyl (2-hydroxy-2-(4-hydroxyphenyl)ethyl)carbamate
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%
octopamine hydrochloride
770-05-8

octopamine hydrochloride

N,N'-bis( tert-butoxycarbonyl)-1H-pyrazole-1-carboxamidine
152120-54-2, 862686-58-6, 1143572-00-2

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

tert-butyl [(Z)-[(tert-butoxycarbonyl)amino]{[2-hydroxy-2-(4-hydroxyphenyl)ethyl]amino}methylidene]carbamate
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%
N-ethoxycarbonylphthalimide
22509-74-6

N-ethoxycarbonylphthalimide

octopamine hydrochloride
770-05-8

octopamine hydrochloride

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

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

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

octopamine hydrochloride

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

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%
octopamine hydrochloride
770-05-8

octopamine hydrochloride

(Z)-tert-butyl (((tert-butoxycarbonyl)imino)(1H-pyrazol-1-yl)methyl)carbamate
152120-54-2, 862686-58-6, 1143572-00-2

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

tert-butyl [(Z)-[(tert-butoxycarbonyl)amino]{[2-hydroxy-2-(4-hydroxyphenyl)ethyl]amino}methylidene]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%
2,3-dihydroxybenzaldehyde
24677-78-9

2,3-dihydroxybenzaldehyde

octopamine hydrochloride
770-05-8

octopamine hydrochloride

C15H15NO4

C15H15NO4

Conditions
ConditionsYield
With triethylamine In methanol at 20℃; for 3h;70.2%
N-butoxycarbonyl-(L)-valine

N-butoxycarbonyl-(L)-valine

octopamine hydrochloride
770-05-8

octopamine hydrochloride

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

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%
octopamine hydrochloride
770-05-8

octopamine hydrochloride

phenol
108-95-2

phenol

4,4'-(2-amino-ethylidene)-di-phenol; hydrochloride
3516-08-3

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

Conditions
ConditionsYield
With hydrogenchloride In Dimethyl ether at 100℃;68%
palmitic anhydride
623-65-4

palmitic anhydride

octopamine hydrochloride
770-05-8

octopamine hydrochloride

hexadecanoic acid 2-hexadecanoylamino-1-(4-hexadecanoyloxy-phenyl)-ethyl ester

hexadecanoic acid 2-hexadecanoylamino-1-(4-hexadecanoyloxy-phenyl)-ethyl ester

Conditions
ConditionsYield
With pyridine at 100℃; for 2.5h;66%
carbon disulfide
75-15-0

carbon disulfide

octopamine hydrochloride
770-05-8

octopamine hydrochloride

methyl iodide
74-88-4

methyl iodide

dihydrotridentatol C

dihydrotridentatol C

Conditions
ConditionsYield
With TEA In chloroform for 3h; Heating;52%
...Expand
octopamine hydrochloride
770-05-8

octopamine hydrochloride

3-Formylchromone
17422-74-1

3-Formylchromone

C18H15NO4

C18H15NO4

Conditions
ConditionsYield
With triethylamine In methanol37.6%
4-[4-(3-Oxobutyl)phenoxy]butanoic acid, ethyl ester
174884-23-2

4-[4-(3-Oxobutyl)phenoxy]butanoic acid, ethyl ester

octopamine hydrochloride
770-05-8

octopamine hydrochloride

10-O-[3-(ethoxycarbonyl)propyl]ractopamine ether
911196-28-6

10-O-[3-(ethoxycarbonyl)propyl]ractopamine ether

Conditions
ConditionsYield
Stage #1: 4-[4-(3-Oxobutyl)phenoxy]butanoic acid, ethyl ester; octopamine hydrochloride With sodium cyanoborohydride; triethylamine In methanol at 50℃;
Stage #2: With hydrogenchloride In water		28%
(1S)-10-camphorsulfonic acid
3144-16-9

(1S)-10-camphorsulfonic acid

octopamine hydrochloride
770-05-8

octopamine hydrochloride

(-)-2-amino-1-(4-hydroxyphenyl)ethanol (1S)-(+)camphor-10-sulphonate
1830-39-3

(-)-2-amino-1-(4-hydroxyphenyl)ethanol (1S)-(+)camphor-10-sulphonate

Conditions
ConditionsYield
With Dowex 50W-X8 In ethanol at 4℃; for 12h;26.7%
(1S)-10-camphorsulfonic acid
3144-16-9

(1S)-10-camphorsulfonic acid

octopamine hydrochloride
770-05-8

octopamine hydrochloride

(+)-2-amino-1-(4-hydroxyphenyl)ethanol (1S)-(+)camphor-10-sulphonate
1693-64-7

(+)-2-amino-1-(4-hydroxyphenyl)ethanol (1S)-(+)camphor-10-sulphonate

Conditions
ConditionsYield
With Dowex 50W-X8 In ethanol at 4℃; for 12h;20%
3,3-diphenyl-2-propenal
1210-39-5

3,3-diphenyl-2-propenal

octopamine hydrochloride
770-05-8

octopamine hydrochloride

4-{2-[3,3-Diphenyl-prop-2-en-(E)-ylideneamino]-1-hydroxy-ethyl}-phenol

4-{2-[3,3-Diphenyl-prop-2-en-(E)-ylideneamino]-1-hydroxy-ethyl}-phenol

Conditions
ConditionsYield
With sodium hydrogencarbonate
octopamine hydrochloride
770-05-8

octopamine hydrochloride

4-amino-3,6-disulfo-1,8-naphthaldehyde anhydride dipotassium salt
79539-35-8

4-amino-3,6-disulfo-1,8-naphthaldehyde anhydride dipotassium salt

C20H14N2O10S2(2-)*2K(1+)

C20H14N2O10S2(2-)*2K(1+)

Conditions
ConditionsYield
In water Heating; pH 5, Li(1+)/H(1+) acetate buffer;
octopamine hydrochloride
770-05-8

octopamine hydrochloride

N-methylnicotinamide hydrochloride
29711-57-7

N-methylnicotinamide hydrochloride

C8H11NO2*C7H8N2O*2ClH

C8H11NO2*C7H8N2O*2ClH

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

octopamine hydrochloride

(+)p-octopamine hydrochloride
770-05-8, 4502-14-1, 19462-08-9

(+)p-octopamine hydrochloride

octopamine hydrochloride
770-05-8

octopamine hydrochloride

(-)p-octopamine hydrochloride
19462-08-9

(-)p-octopamine hydrochloride

octopamine hydrochloride
770-05-8

octopamine hydrochloride

benzoyl chloride
98-88-4

benzoyl chloride

N-benzoyloctopamine
115722-49-1

N-benzoyloctopamine

Conditions
ConditionsYield
With pyridine Yield given;
2-bromoisovanillin
2973-59-3

2-bromoisovanillin

octopamine hydrochloride
770-05-8

octopamine hydrochloride

p-hydroxy-α-(2-bromo-5-hydroxy-4-methoxybenzylaminomethyl)benzyl alcohol

p-hydroxy-α-(2-bromo-5-hydroxy-4-methoxybenzylaminomethyl)benzyl alcohol

Conditions
ConditionsYield
With sodium tetrahydroborate; sodium hydrogencarbonate 1.) MeOH, 50 deg C, 2 h, 2.) r.t., 1 h; Yield given. Multistep reaction;
octopamine hydrochloride
770-05-8

octopamine hydrochloride

serin
302-84-1

serin

Conditions
ConditionsYield
With dihydrogen peroxide; ozone 1.) H2O; Yield given. Multistep reaction;
potassium thioacyanate
333-20-0

potassium thioacyanate

octopamine hydrochloride
770-05-8

octopamine hydrochloride

DL-3-Thiocyanatooctopamin

DL-3-Thiocyanatooctopamin

Conditions
ConditionsYield
(i) Cl2, AcOH, (ii) /BRN= 3915414/; Multistep reaction;
BOC-glycine
4530-20-5

BOC-glycine

octopamine hydrochloride
770-05-8

octopamine hydrochloride

{[2-hydroxy-2-(4-hydroxy-phenyl)-ethylcarbamoyl]-methyl}-carbamic acid tert-butyl ester

{[2-hydroxy-2-(4-hydroxy-phenyl)-ethylcarbamoyl]-methyl}-carbamic acid tert-butyl ester

Conditions
ConditionsYield
With N-ethyl-N,N-diisopropylamine; dicyclohexyl-carbodiimide In dichloromethane; N,N-dimethyl-formamide at 25℃; for 17h; Acylation;
octopamine hydrochloride
770-05-8

octopamine hydrochloride

2-benzyl-3-chloro-3-phenyl-2,3-dihydroisoindol-1-one
237769-24-3

2-benzyl-3-chloro-3-phenyl-2,3-dihydroisoindol-1-one

2-benzyl-3-[2-hydroxy-2-(4-hydroxyphenyl)ethylamino]-3-phenyl-2,3-dihydroisoindol-1-one

2-benzyl-3-[2-hydroxy-2-(4-hydroxyphenyl)ethylamino]-3-phenyl-2,3-dihydroisoindol-1-one

Conditions
ConditionsYield
With triethylamine In N,N-dimethyl-formamide at 20℃; for 20h;0.27 g
octopamine hydrochloride
770-05-8

octopamine hydrochloride

Mmt-chloride
383401-15-8

Mmt-chloride

C31H31NO4S
865871-05-2

C31H31NO4S

Conditions
ConditionsYield
With benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate; N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide at 20℃; for 0.833333h;
octopamine hydrochloride
770-05-8

octopamine hydrochloride

tridentatol C

tridentatol C

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 52 percent / TEA / CHCl3 / 3 h / Heating
2: DDQ / CHCl3 / 3 h / Heating
View Scheme
octopamine hydrochloride
770-05-8

octopamine hydrochloride

Hexadecanoic acid [(E)-2-(4-hydroxy-phenyl)-vinyl]-amide

Hexadecanoic acid [(E)-2-(4-hydroxy-phenyl)-vinyl]-amide

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 66 percent / pyridine / 2.5 h / 100 °C
2: 43 percent / potassium carbonate; dimethyl sulfoxide / dimethylformamide / 5 h / 100 °C
View Scheme

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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