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CAS No.: | 6429-04-5 |
---|---|
Name: | Tetrahydropapaverine hydrochloride |
Article Data: | 4 |
Molecular Structure: | |
Formula: | C20H25NO4.HCl |
Molecular Weight: | 379.884 |
Synonyms: | Isoquinoline,1,2,3,4-tetrahydro-6,7-dimethoxy-1-veratryl-, hydrochloride (6CI,7CI,8CI);(?à)-Norlaudanosine hydrochloride;(?à)-Tetrahydropapaverine hydrochloride;1,2,3,4-Tetrahydropapaverine hydrochloride;NSC 118072;NZ 54;Tetrahydropapaverine hydrochloride; |
EINECS: | 229-213-9 |
Density: | 1.12g/cm3 |
Melting Point: | 213°C~215°C |
Boiling Point: | 475.8 °C at 760 mmHg |
Flash Point: | 202.7 °C |
Solubility: | Soluble in water |
Appearance: | White crystal powder |
Hazard Symbols: | |
Risk Codes: | 22 |
Safety: | 36 |
PSA: | 48.95000 |
LogP: | 4.28130 |
1-(3,4-dimethoxybenzyl)-6,7-dimethoxy-3,4-dihydroisoquinoline hydrochloride
1,2,3,4-tetrahydro-1-(3,4-dimethoxybenzyl)-6,7-dimethoxyisoquinoline hydrochloride
Conditions | Yield |
---|---|
With methanol; sodium tetrahydroborate at 0 - 20℃; for 0.166667h; Inert atmosphere; | 89% |
3,4-dihydropapaverine
1,2,3,4-tetrahydro-1-(3,4-dimethoxybenzyl)-6,7-dimethoxyisoquinoline hydrochloride
Conditions | Yield |
---|---|
With sodium (S)-prolinate-borane In tetrahydrofuran for 240h; Ambient temperature; | 78% |
With sodium tetrahydroborate for 19h; Ambient temperature; | 71% |
Tetrahydropapaverine
1,2,3,4-tetrahydro-1-(3,4-dimethoxybenzyl)-6,7-dimethoxyisoquinoline hydrochloride
Conditions | Yield |
---|---|
With hydrogenchloride In ethanol | 66% |
(3,4-Dimethoxyphenyl)acetic acid
1,2,3,4-tetrahydro-1-(3,4-dimethoxybenzyl)-6,7-dimethoxyisoquinoline hydrochloride
Conditions | Yield |
---|---|
Multi-step reaction with 3 steps 1: 92 percent / 2 h / 190 - 210 °C 2: phosphoryl chloride / toluene / 3 h / Heating 3: 71 percent / sodium borohydride / 19 h / Ambient temperature View Scheme | |
Multi-step reaction with 3 steps 1: 1 h / 180 °C 2: trichlorophosphate / acetonitrile / 1 h / Reflux; Inert atmosphere 3: sodium tetrahydroborate; methanol / 0.17 h / 0 - 20 °C / Inert atmosphere View Scheme |
N-(3,4-dimethoxyphenethyl)-2-(3,4-dimethoxyphenyl)acetamide
1,2,3,4-tetrahydro-1-(3,4-dimethoxybenzyl)-6,7-dimethoxyisoquinoline hydrochloride
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: phosphoryl chloride / toluene / 3 h / Heating 2: 71 percent / sodium borohydride / 19 h / Ambient temperature View Scheme | |
Multi-step reaction with 2 steps 1: trichlorophosphate / acetonitrile / 1 h / Reflux; Inert atmosphere 2: sodium tetrahydroborate; methanol / 0.17 h / 0 - 20 °C / Inert atmosphere View Scheme |
2-(3,4-dimethoxyphenyl)-ethylamine
1,2,3,4-tetrahydro-1-(3,4-dimethoxybenzyl)-6,7-dimethoxyisoquinoline hydrochloride
Conditions | Yield |
---|---|
Multi-step reaction with 3 steps 1: 92 percent / 2 h / 190 - 210 °C 2: phosphoryl chloride / toluene / 3 h / Heating 3: 71 percent / sodium borohydride / 19 h / Ambient temperature View Scheme |
2-(3,4-dimethoxyphenyl)-ethylamine
1,2,3,4-tetrahydro-1-(3,4-dimethoxybenzyl)-6,7-dimethoxyisoquinoline hydrochloride
Conditions | Yield |
---|---|
Multi-step reaction with 3 steps 1: 1 h / 180 °C 2: trichlorophosphate / acetonitrile / 1 h / Reflux; Inert atmosphere 3: sodium tetrahydroborate; methanol / 0.17 h / 0 - 20 °C / Inert atmosphere View Scheme |
1,2,3,4-tetrahydro-1-(3,4-dimethoxybenzyl)-6,7-dimethoxyisoquinoline hydrochloride
(+/-)-Tetrahydropapaveroline hydrobromide
Conditions | Yield |
---|---|
With hydrogen bromide for 2.5h; Reflux; | 95.1% |
1,2,3,4-tetrahydro-1-(3,4-dimethoxybenzyl)-6,7-dimethoxyisoquinoline hydrochloride
formic acid ethyl ester
1-(3,4-dimethoxybenzyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-2-carbaldehyde
Conditions | Yield |
---|---|
With potassium carbonate In ethanol for 40h; Bischler-Napieralski Reaction; Reflux; | 94% |
(3,4-Dimethoxyphenyl)acetic acid
1,2,3,4-tetrahydro-1-(3,4-dimethoxybenzyl)-6,7-dimethoxyisoquinoline hydrochloride
Conditions | Yield |
---|---|
With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine In dichloromethane at 20℃; for 17h; | 89% |
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Product Name: Isoquinoline,1-[(3,4-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydro-6,7-dimethoxy-,hydrochloride (1:1) (CAS NO.6429-04-5)
Molecular Formula: C20H25NO4.HCl
Molecular Weight: 379.8814g/mol
Mol File: 6429-04-5.mol
EINECS: 229-213-9
Boiling point: 475.8 °C at 760 mmHg
Flash Point: 202.7 °C
Enthalpy of Vaporization: 73.93 kJ/mol
Vapour Pressure: 3.23E-09 mmHg at 25°C
H-Bond Donor: 2
H-Bond Acceptor: 5
Structure Descriptors of Isoquinoline,1-[(3,4-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydro-6,7-dimethoxy-,hydrochloride (1:1) (CAS NO.6429-04-5):
IUPAC Name: 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline hydrochloride
Canonical SMILES: COC1=C(C=C(C=C1)CC2C3=CC(=C(C=C3CCN2)OC)OC)OC.Cl
InChI: InChI=1S/C20H25NO4.ClH/c1-22-17-6-5-13(10-18(17)23-2)9-16-15-12-20(25-4)19(24-3)11-14(15)7-8-21-16;/h5-6,10-12,16,21H,7-9H2,1-4H3;1H
InChIKey: VMPLLPIDRGXFTQ-UHFFFAOYSA-N
Classification Code: Drug / Therapeutic Agent
Safety Information of Isoquinoline,1-[(3,4-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydro-6,7-dimethoxy-,hydrochloride (1:1) (CAS NO.6429-04-5):
Hazard Codes: T
Isoquinoline,1-[(3,4-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydro-6,7-dimethoxy-,hydrochloride (1:1) , its CAS NO. is 6429-04-5, the synonyms are 1,2,3,4-Tetrahydro-6,7-dimethoxy-1-veratryl-isoquinoline hydrochloride ; Papaverine, 1,2,3,4-tetrahydro-, hydrochloride ; Tetrahydropapaverine hydrochloride ; 1-(3,4-Dimethoxybenzyl)-1,2,3,4-tetrahydro-6,7-
dimethoxyisoquinolinium chloride ; Isoquinoline, 1,2,3,4-tetrahydro-6,7-dimethoxy-1-veratryl-, hydrochloride .