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CAS No.: | 754159-68-7 |
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Name: | 3-[(1R)-3-[Bis(1-methylethyl)amino]-1-phenylpropyl]-4-(phenylmethoxy)benzoic acid |
Article Data: | 4 |
Molecular Structure: | |
Formula: | C29H35NO3 |
Molecular Weight: | 445.602 |
Synonyms: | 3-[(1R)-3-[Bis(1-methylethyl)amino]-1-phenylpropyl]-4-(phenylmethoxy)benzoic acid; |
Density: | 1.095 |
PSA: | 49.77000 |
LogP: | 6.60460 |
(E)-3-phenylacrylic acid
4-(benzyloxy)-3-[(1R)-3-(dipropan-2-ylamino)-1-phenylpropyl]benzoic acid
Conditions | Yield |
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Multi-step reaction with 8 steps 1.1: sulfuric acid / 120 - 125 °C 2.1: potassium carbonate; sodium iodide / acetone / Reflux 3.1: sodium tetrahydroborate / 1,2-dimethoxyethane / 0.17 h 3.2: 3 h / 10 °C 4.1: triethylamine / dichloromethane / 12 h / 25 - 30 °C 5.1: acetonitrile / 30 h / 95 - 100 °C / autoclave; Sealed tube 6.1: isopropyl alcohol / 15 h / 25 - 86 °C 7.1: sodium hydroxide / water 8.1: ethyl bromide; iodine; magnesium / tetrahydrofuran / 1 h / 55 °C / Reflux 8.2: 1 h / -65 - -60 °C View Scheme |
R-(-)-[3-(2-benzyloxy-5-bromophenyl)-3-phenylpropyl]diisopropylamine
carbon dioxide
4-(benzyloxy)-3-[(1R)-3-(dipropan-2-ylamino)-1-phenylpropyl]benzoic acid
Conditions | Yield |
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Stage #1: R-(-)-[3-(2-benzyloxy-5-bromophenyl)-3-phenylpropyl]diisopropylamine With ethyl bromide; iodine; magnesium In tetrahydrofuran at 55℃; for 1h; Reflux; Stage #2: carbon dioxide In tetrahydrofuran at -65 - -60℃; for 1h; | |
Stage #1: R-(-)-[3-(2-benzyloxy-5-bromophenyl)-3-phenylpropyl]diisopropylamine With ethyl bromide; iodine; magnesium In tetrahydrofuran at 60 - 65℃; for 2h; Inert atmosphere; Stage #2: carbon dioxide In tetrahydrofuran at -70 - -50℃; for 1h; |
4-(benzyloxy)-3-[(1R)-3-(dipropan-2-ylamino)-1-phenylpropyl]benzoic acid
Conditions | Yield |
---|---|
Multi-step reaction with 5 steps 1.1: triethylamine / dichloromethane / 12 h / 25 - 30 °C 2.1: acetonitrile / 30 h / 95 - 100 °C / autoclave; Sealed tube 3.1: isopropyl alcohol / 15 h / 25 - 86 °C 4.1: sodium hydroxide / water 5.1: ethyl bromide; iodine; magnesium / tetrahydrofuran / 1 h / 55 °C / Reflux 5.2: 1 h / -65 - -60 °C View Scheme | |
Multi-step reaction with 6 steps 1.1: dmap; triethylamine / dichloromethane / 20 °C 2.1: potassium iodide / acetonitrile / 15 h / Reflux 3.1: ethyl bromide; iodine; magnesium / tetrahydrofuran / Reflux 3.2: 1 h / -60 - -25 °C 3.3: 1 h / 0 - 20 °C 4.1: ammonia / ethyl acetate; water / pH 8 - 9 5.1: methanol / 50 - 65 °C 6.1: ammonia / water / pH 8 - 9 View Scheme | |
Multi-step reaction with 4 steps 1.1: dmap; triethylamine / dichloromethane / 2 h / 0 - 5 °C 2.1: acetonitrile / 32 h / 95 - 100 °C / autoclave; Inert atmosphere 3.1: ethyl bromide; iodine; magnesium / tetrahydrofuran / 4 h / 50 - 55 °C / Inert atmosphere 3.2: 1.5 h / -70 - -60 °C / Inert atmosphere 3.3: -10 - 25 °C 4.1: D-tartaric acid / isopropyl alcohol / 16 h / 30 - 35 °C 4.2: 10 - 15 °C View Scheme |
4-(benzyloxy)-3-[(1R)-3-(dipropan-2-ylamino)-1-phenylpropyl]benzoic acid
Conditions | Yield |
---|---|
Multi-step reaction with 3 steps 1.1: isopropyl alcohol / 15 h / 25 - 86 °C 2.1: sodium hydroxide / water 3.1: ethyl bromide; iodine; magnesium / tetrahydrofuran / 1 h / 55 °C / Reflux 3.2: 1 h / -65 - -60 °C View Scheme | |
Multi-step reaction with 4 steps 1.1: ethyl bromide; iodine; magnesium / tetrahydrofuran / Reflux 1.2: 1 h / -60 - -25 °C 1.3: 1 h / 0 - 20 °C 2.1: ammonia / ethyl acetate; water / pH 8 - 9 3.1: methanol / 50 - 65 °C 4.1: ammonia / water / pH 8 - 9 View Scheme | |
Multi-step reaction with 2 steps 1.1: ethyl bromide; iodine; magnesium / tetrahydrofuran / 4 h / 50 - 55 °C / Inert atmosphere 1.2: 1.5 h / -70 - -60 °C / Inert atmosphere 1.3: -10 - 25 °C 2.1: D-tartaric acid / isopropyl alcohol / 16 h / 30 - 35 °C 2.2: 10 - 15 °C View Scheme |
4-bromo-phenol
4-(benzyloxy)-3-[(1R)-3-(dipropan-2-ylamino)-1-phenylpropyl]benzoic acid
Conditions | Yield |
---|---|
Multi-step reaction with 8 steps 1.1: sulfuric acid / 120 - 125 °C 2.1: potassium carbonate; sodium iodide / acetone / Reflux 3.1: sodium tetrahydroborate / 1,2-dimethoxyethane / 0.17 h 3.2: 3 h / 10 °C 4.1: triethylamine / dichloromethane / 12 h / 25 - 30 °C 5.1: acetonitrile / 30 h / 95 - 100 °C / autoclave; Sealed tube 6.1: isopropyl alcohol / 15 h / 25 - 86 °C 7.1: sodium hydroxide / water 8.1: ethyl bromide; iodine; magnesium / tetrahydrofuran / 1 h / 55 °C / Reflux 8.2: 1 h / -65 - -60 °C View Scheme | |
Multi-step reaction with 7 steps 1.1: sulfuric acid / 12 h / 120 - 125 °C 2.1: potassium carbonate; sodium iodide / acetone / 25 - 30 °C 2.2: 5.5 h / 15 °C / Reflux 3.1: sodium bis(2-methoxyethoxy)aluminium dihydride / toluene / 4 h / 5 - 10 °C / Inert atmosphere 4.1: dmap; triethylamine / dichloromethane / 2 h / 0 - 5 °C 5.1: acetonitrile / 32 h / 95 - 100 °C / autoclave; Inert atmosphere 6.1: ethyl bromide; iodine; magnesium / tetrahydrofuran / 4 h / 50 - 55 °C / Inert atmosphere 6.2: 1.5 h / -70 - -60 °C / Inert atmosphere 6.3: -10 - 25 °C 7.1: D-tartaric acid / isopropyl alcohol / 16 h / 30 - 35 °C 7.2: 10 - 15 °C View Scheme |
6-bromo-4-phenyl-3,4-dihydro-2H-chromen-2-one
4-(benzyloxy)-3-[(1R)-3-(dipropan-2-ylamino)-1-phenylpropyl]benzoic acid
Conditions | Yield |
---|---|
Multi-step reaction with 7 steps 1.1: potassium carbonate; sodium iodide / acetone / Reflux 2.1: sodium tetrahydroborate / 1,2-dimethoxyethane / 0.17 h 2.2: 3 h / 10 °C 3.1: triethylamine / dichloromethane / 12 h / 25 - 30 °C 4.1: acetonitrile / 30 h / 95 - 100 °C / autoclave; Sealed tube 5.1: isopropyl alcohol / 15 h / 25 - 86 °C 6.1: sodium hydroxide / water 7.1: ethyl bromide; iodine; magnesium / tetrahydrofuran / 1 h / 55 °C / Reflux 7.2: 1 h / -65 - -60 °C View Scheme | |
Multi-step reaction with 6 steps 1.1: potassium carbonate; sodium iodide / acetone / 25 - 30 °C 1.2: 5.5 h / 15 °C / Reflux 2.1: sodium bis(2-methoxyethoxy)aluminium dihydride / toluene / 4 h / 5 - 10 °C / Inert atmosphere 3.1: dmap; triethylamine / dichloromethane / 2 h / 0 - 5 °C 4.1: acetonitrile / 32 h / 95 - 100 °C / autoclave; Inert atmosphere 5.1: ethyl bromide; iodine; magnesium / tetrahydrofuran / 4 h / 50 - 55 °C / Inert atmosphere 5.2: 1.5 h / -70 - -60 °C / Inert atmosphere 5.3: -10 - 25 °C 6.1: D-tartaric acid / isopropyl alcohol / 16 h / 30 - 35 °C 6.2: 10 - 15 °C View Scheme | |
Multi-step reaction with 8 steps 1.1: potassium carbonate / 60 - 65 °C 2.1: sodium hydroxide / water / 45 - 50 °C 3.1: ethanol / 5.83 h / 0 - 75 °C 4.1: hydrogenchloride / water; toluene / 1 h / 20 - 25 °C 5.1: thionyl chloride; N,N-dimethyl-formamide / toluene / 50 - 55 °C 6.1: toluene / 1 h / 0 - 35 °C 7.1: tetrahydrofuran / 4.5 h / 60 - 65 °C 8.1: iodine; magnesium; ethyl bromide / tetrahydrofuran / 2 h / 60 - 65 °C / Inert atmosphere 8.2: 1 h / -70 - -50 °C View Scheme | |
Multi-step reaction with 8 steps 1.1: potassium carbonate / 60 - 65 °C 2.1: sodium hydroxide / water / 45 - 50 °C 3.1: ethanol / 5.83 h / 0 - 75 °C 4.1: hydrogenchloride / water; toluene / 1 h / 20 - 25 °C 5.1: thionyl chloride; N,N-dimethyl-formamide / toluene / 50 - 55 °C 6.1: toluene / 1 h / 0 - 35 °C 7.1: iodine; lithium aluminium tetrahydride / tetrahydrofuran / 2.25 h / 0 - 65 °C 8.1: iodine; magnesium; ethyl bromide / tetrahydrofuran / 2 h / 60 - 65 °C / Inert atmosphere 8.2: 1 h / -70 - -50 °C View Scheme |
methyl 3-[2-(benzyloxy)-5-bromophenyl]-3-phenylpropanoate
4-(benzyloxy)-3-[(1R)-3-(dipropan-2-ylamino)-1-phenylpropyl]benzoic acid
Conditions | Yield |
---|---|
Multi-step reaction with 6 steps 1.1: sodium tetrahydroborate / 1,2-dimethoxyethane / 0.17 h 1.2: 3 h / 10 °C 2.1: triethylamine / dichloromethane / 12 h / 25 - 30 °C 3.1: acetonitrile / 30 h / 95 - 100 °C / autoclave; Sealed tube 4.1: isopropyl alcohol / 15 h / 25 - 86 °C 5.1: sodium hydroxide / water 6.1: ethyl bromide; iodine; magnesium / tetrahydrofuran / 1 h / 55 °C / Reflux 6.2: 1 h / -65 - -60 °C View Scheme | |
Multi-step reaction with 5 steps 1.1: sodium bis(2-methoxyethoxy)aluminium dihydride / toluene / 4 h / 5 - 10 °C / Inert atmosphere 2.1: dmap; triethylamine / dichloromethane / 2 h / 0 - 5 °C 3.1: acetonitrile / 32 h / 95 - 100 °C / autoclave; Inert atmosphere 4.1: ethyl bromide; iodine; magnesium / tetrahydrofuran / 4 h / 50 - 55 °C / Inert atmosphere 4.2: 1.5 h / -70 - -60 °C / Inert atmosphere 4.3: -10 - 25 °C 5.1: D-tartaric acid / isopropyl alcohol / 16 h / 30 - 35 °C 5.2: 10 - 15 °C View Scheme | |
Multi-step reaction with 7 steps 1.1: sodium hydroxide / water / 45 - 50 °C 2.1: ethanol / 5.83 h / 0 - 75 °C 3.1: hydrogenchloride / water; toluene / 1 h / 20 - 25 °C 4.1: thionyl chloride; N,N-dimethyl-formamide / toluene / 50 - 55 °C 5.1: toluene / 1 h / 0 - 35 °C 6.1: tetrahydrofuran / 4.5 h / 60 - 65 °C 7.1: iodine; magnesium; ethyl bromide / tetrahydrofuran / 2 h / 60 - 65 °C / Inert atmosphere 7.2: 1 h / -70 - -50 °C View Scheme | |
Multi-step reaction with 7 steps 1.1: sodium hydroxide / water / 45 - 50 °C 2.1: ethanol / 5.83 h / 0 - 75 °C 3.1: hydrogenchloride / water; toluene / 1 h / 20 - 25 °C 4.1: thionyl chloride; N,N-dimethyl-formamide / toluene / 50 - 55 °C 5.1: toluene / 1 h / 0 - 35 °C 6.1: iodine; lithium aluminium tetrahydride / tetrahydrofuran / 2.25 h / 0 - 65 °C 7.1: iodine; magnesium; ethyl bromide / tetrahydrofuran / 2 h / 60 - 65 °C / Inert atmosphere 7.2: 1 h / -70 - -50 °C View Scheme |
(+/-)-toluene-4-sulphonic acid 3-(2-benzyloxy-5-bromophenyl)-3-phenylpropyl ester
4-(benzyloxy)-3-[(1R)-3-(dipropan-2-ylamino)-1-phenylpropyl]benzoic acid
Conditions | Yield |
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Multi-step reaction with 4 steps 1.1: acetonitrile / 30 h / 95 - 100 °C / autoclave; Sealed tube 2.1: isopropyl alcohol / 15 h / 25 - 86 °C 3.1: sodium hydroxide / water 4.1: ethyl bromide; iodine; magnesium / tetrahydrofuran / 1 h / 55 °C / Reflux 4.2: 1 h / -65 - -60 °C View Scheme | |
Multi-step reaction with 5 steps 1.1: potassium iodide / acetonitrile / 15 h / Reflux 2.1: ethyl bromide; iodine; magnesium / tetrahydrofuran / Reflux 2.2: 1 h / -60 - -25 °C 2.3: 1 h / 0 - 20 °C 3.1: ammonia / ethyl acetate; water / pH 8 - 9 4.1: methanol / 50 - 65 °C 5.1: ammonia / water / pH 8 - 9 View Scheme | |
Multi-step reaction with 3 steps 1.1: acetonitrile / 32 h / 95 - 100 °C / autoclave; Inert atmosphere 2.1: ethyl bromide; iodine; magnesium / tetrahydrofuran / 4 h / 50 - 55 °C / Inert atmosphere 2.2: 1.5 h / -70 - -60 °C / Inert atmosphere 2.3: -10 - 25 °C 3.1: D-tartaric acid / isopropyl alcohol / 16 h / 30 - 35 °C 3.2: 10 - 15 °C View Scheme |
C20H18O8*C28H34BrNO
4-(benzyloxy)-3-[(1R)-3-(dipropan-2-ylamino)-1-phenylpropyl]benzoic acid
Conditions | Yield |
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Multi-step reaction with 2 steps 1.1: sodium hydroxide / water 2.1: ethyl bromide; iodine; magnesium / tetrahydrofuran / 1 h / 55 °C / Reflux 2.2: 1 h / -65 - -60 °C View Scheme |
4-(benzyloxy)-3-[(1R)-3-(dipropan-2-ylamino)-1-phenylpropyl]benzoic acid
Conditions | Yield |
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Multi-step reaction with 3 steps 1: ammonia / ethyl acetate; water / pH 8 - 9 2: methanol / 50 - 65 °C 3: ammonia / water / pH 8 - 9 View Scheme |
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Product Name: Benzoicacid, 3-[(1R)-3-[bis(1-methylethyl)amino]-1-phenylpropyl]-4-(phenylmethoxy)- (CAS NO.754159-68-7)
Molecular Formula: C29H35NO3
Molecular Weight: 445.59g/mol
Mol File: 754159-68-7.mol
Density: 1.095
Benzoicacid, 3-[(1R)-3-[bis(1-methylethyl)amino]-1-phenylpropyl]-4-(phenylmethoxy)- , its CAS NO. is 754159-68-7, the synonym is 3-[(1R)-3-[Bis(1-methylethyl)amino]-1-phenylpropyl]-4-(phenylmethoxy)benzoic acid .