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chloroformic acid ethyl ester
(S)-1-phenyl-1,2,3,4-tetrahydroisoquinoline
(S)-N-carboxylic acid ethyl ester-1-phenyl-1,2,3,4-tetrahydroisoquinoline
Conditions | Yield |
---|---|
With potassium carbonate In dichloromethane at 20℃; | 100% |
With triethylamine In dichloromethane at 20℃; for 5h; | 99% |
With potassium carbonate; 1-butyl-3-methylimidazolium Tetrafluoroborate at 20℃; for 2h; Reagent/catalyst; Concentration; | 97.9% |
ethyl bromide
carbon dioxide
(S)-1-phenyl-1,2,3,4-tetrahydroisoquinoline
(S)-N-carboxylic acid ethyl ester-1-phenyl-1,2,3,4-tetrahydroisoquinoline
Conditions | Yield |
---|---|
With sodium carbonate In 1,4-dioxane at 25℃; under 750.075 Torr; for 5h; | 84% |
(S)-N-carboxylic acid ethyl ester-1-phenyl-1,2,3,4-tetrahydroisoquinoline
Conditions | Yield |
---|---|
With di-isopropyl azodicarboxylate; triphenylphosphine In tetrahydrofuran at 20℃; for 12h; enantioselective reaction; | 71% |
With di-isopropyl azodicarboxylate; triphenylphosphine In tetrahydrofuran at 20℃; for 12h; Inert atmosphere; Cooling with ice; | 71% |
1-phenyl-3,4-dihydroisoquinoline
(S)-N-carboxylic acid ethyl ester-1-phenyl-1,2,3,4-tetrahydroisoquinoline
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: NaBH4 / ethanol / 60 h / 20 °C 2: 100 percent / K2CO3 / CH2Cl2 / 20 °C View Scheme | |
Multi-step reaction with 3 steps 1.1: methanol; sodium tetrahydroborate / water / 5.42 h / 20 - 34 °C 2.1: D-tartaric acid / methanol; ethyl acetate / 2.08 h / 28 - 64 °C / Resolution of racemate 2.2: 1.17 h / pH 8 - 9 3.1: sodium carbonate / toluene / 2.17 h / 0 - 28 °C View Scheme |
N-phenethylbenzamide
(S)-N-carboxylic acid ethyl ester-1-phenyl-1,2,3,4-tetrahydroisoquinoline
Conditions | Yield |
---|---|
Multi-step reaction with 3 steps 1: P2O5; POCl3 / xylene / 2.5 h / Heating 2: NaBH4 / ethanol / 60 h / 20 °C 3: 100 percent / K2CO3 / CH2Cl2 / 20 °C View Scheme | |
Multi-step reaction with 4 steps 1.1: PPA / water / 4.25 h / 14.9 - 165 °C 1.2: 0.17 h / 28 - 42 °C / pH 2.1 - 7.12 2.1: methanol; sodium tetrahydroborate / water / 5.42 h / 20 - 34 °C 3.1: D-tartaric acid / methanol; ethyl acetate / 2.08 h / 28 - 64 °C / Resolution of racemate 3.2: 1.17 h / pH 8 - 9 4.1: sodium carbonate / toluene / 2.17 h / 0 - 28 °C View Scheme |
(S)-1,2,3,4-tetrahydro-1-phenyl-isoquinoline-2-carboxylic acid
chloroformic acid ethyl ester
(S)-N-carboxylic acid ethyl ester-1-phenyl-1,2,3,4-tetrahydroisoquinoline
Conditions | Yield |
---|---|
With sodium carbonate In water; toluene at 14.9 - 34.8℃; for 3h; |
(R)-(-)-1-phenyl-1,2,3,4-tetrahydroisoquinoline
(S)-N-carboxylic acid ethyl ester-1-phenyl-1,2,3,4-tetrahydroisoquinoline
Conditions | Yield |
---|---|
Multi-step reaction with 4 steps 1.1: triethylamine / dichloromethane / -10 - 20 °C 2.1: hydrogenchloride; water; phosphoric acid / 95 - 100 °C 2.2: 20 °C / pH 9 - 10 3.1: D-tartaric acid / water / 1.5 h / 65 - 95 °C / Resolution of racemate 4.1: acetone / 5 °C / Reflux View Scheme | |
Multi-step reaction with 3 steps 1.1: potassium carbonate / dichloromethane / 0 - 25 °C 2.1: sodium hydroxide / ethanol / 75 - 80 °C 2.2: Cooling 3.1: acetone / 5 °C / Reflux View Scheme | |
Multi-step reaction with 4 steps 1.1: triethylamine / dichloromethane / -10 - 20 °C 2.1: hydrogenchloride; water; phosphoric acid / 32 h / 95 - 100 °C 2.2: 20 °C / pH 9 - 10 3.1: D-tartaric acid / water / 1.5 h / 65 - 95 °C / Resolution of racemate 4.1: acetone / 5 °C / Reflux View Scheme | |
Multi-step reaction with 4 steps 1.1: triethylamine / dichloromethane / -10 - 20 °C 2.1: hydrogenchloride; water; phosphoric acid / 95 - 100 °C 2.2: 20 °C / pH 9 - 10 3.1: D-tartaric acid / water / Resolution of racemate 3.2: 20 °C 4.1: acetone / 5 °C / Reflux View Scheme |
4-nitrophenyl-1-phenyl-3,4-dihydroisoquinoline-2(1H)-carboxylate
(S)-N-carboxylic acid ethyl ester-1-phenyl-1,2,3,4-tetrahydroisoquinoline
Conditions | Yield |
---|---|
Multi-step reaction with 5 steps 1.1: sodium hydroxide / ethanol / 75 - 80 °C 1.2: Cooling 2.1: triethylamine / dichloromethane / -10 - 20 °C 3.1: hydrogenchloride; water; phosphoric acid / 32 h / 95 - 100 °C 3.2: 20 °C / pH 9 - 10 4.1: D-tartaric acid / water / 1.5 h / 65 - 95 °C / Resolution of racemate 5.1: acetone / 5 °C / Reflux View Scheme | |
Multi-step reaction with 2 steps 1.1: sodium hydroxide / ethanol / 75 - 80 °C 1.2: Cooling 2.1: acetone / 5 °C / Reflux View Scheme |
1-phenyl-1,2,3,4-tetrahydroisoquinoline
(S)-N-carboxylic acid ethyl ester-1-phenyl-1,2,3,4-tetrahydroisoquinoline
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: D-tartaric acid / water / 1.5 h / 65 - 95 °C / Resolution of racemate 2: acetone / 5 °C / Reflux View Scheme | |
Multi-step reaction with 2 steps 1.1: D-tartaric acid / water / Resolution of racemate 1.2: 20 °C 2.1: acetone / 5 °C / Reflux View Scheme | |
Multi-step reaction with 4 steps 1.1: D-tartaric acid / water / Resolution of racemate 1.2: 20 °C 2.1: potassium carbonate / dichloromethane / 0 - 25 °C 3.1: sodium hydroxide / ethanol / 75 - 80 °C 3.2: Cooling 4.1: acetone / 5 °C / Reflux View Scheme | |
Multi-step reaction with 2 steps 1.1: D-tartaric acid / methanol; ethyl acetate / 2.08 h / 28 - 64 °C / Resolution of racemate 1.2: 1.17 h / pH 8 - 9 2.1: sodium carbonate / toluene / 2.17 h / 0 - 28 °C View Scheme |
N-acetyl-(1R)-phenyl-1,2,3,4-tetrahydroisoquinoline
(S)-N-carboxylic acid ethyl ester-1-phenyl-1,2,3,4-tetrahydroisoquinoline
Conditions | Yield |
---|---|
Multi-step reaction with 3 steps 1.1: hydrogenchloride; water; phosphoric acid / 32 h / 95 - 100 °C 1.2: 20 °C / pH 9 - 10 2.1: D-tartaric acid / water / 1.5 h / 65 - 95 °C / Resolution of racemate 3.1: acetone / 5 °C / Reflux View Scheme |
Molecule structure of Ethyl (S)-1-phenyl-1,2,3,4-tetrahydro-2-isoquinolinecarboxylate (CAS NO.180468-42-2):
Molecular Formula: C18H19NO2
Molecular Weight: 281.35 g/mol
Density: 1.145 g/cm3
Boiling Point: 412.162 °C at 760 mmHg
Flash Point: 203.068 °C
Index of Refraction: 1.582
Molar Refractivity: 82.021 cm3
Molar Volume: 245.628 cm3
Surface Tension: 45.057 dyne/cm
Enthalpy of Vaporization: 66.475 kJ/mol
InChI: InChI=1/C18H19NO2/c1-2-21-18(20)19-13-12-14-8-6-7-11-16(14)17(19)15-9-4-3-5-10-15/h3-11,17H,2,12-13H2,1H3
InChIKey of Ethyl (S)-1-phenyl-1,2,3,4-tetrahydro-2-isoquinolinecarboxylate (CAS NO.180468-42-2): DKKVDRQVNMALLN-UHFFFAOYAI
Ethyl (S)-1-phenyl-1,2,3,4-tetrahydro-2-isoquinolinecarboxylate (CAS NO.180468-42-2) is also named as 2(1H)-isoquinolinecarboxylic acid, 3,4-dihydro-1-phenyl-, ethyl ester ; Ethyl-1-phenyl-3,4-dihydroisochinolin-2(1H)-carboxylat ; (S)-ethyl 1-phenyl-3,4-dihydroisoquinoline-2(1H)-carboxylate .