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CAS No.: | 123910-88-3 |
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Name: | 4-(4-Hydroxybutyl)benzoic acid Methyl ester |
Article Data: | 19 |
Molecular Structure: | |
Formula: | C12H16O3 |
Molecular Weight: | 208.257 |
Synonyms: | METHYL4-(4-HYDROXYBUTYL)BENZOATE;Methyl 4-(4-hydroxybutyl)benzoate;4-(4-HYDROXYBUTYL)-BENZOIC ACID METHYL ESTER;4-(4-Hydroxybutyl)benzoic Acid Methyl Ester; |
Density: | 1.092±0.06 g/cm3(Predicted) |
Boiling Point: | 343.6±35.0 °C(Predicted) |
PSA: | 46.53000 |
LogP: | 1.78820 |
4-(4-hydroxy-1-butynyl)benzoic acid methyl ester
methyl 4-(4-hydroxybut-1-yl)benzoate
Conditions | Yield |
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With hydrogen; palladium on activated charcoal In ethanol under 2585.7 Torr; for 12h; | 100% |
With hydrogen; palladium on activated charcoal In methanol under 2327.17 - 2585.74 Torr; for 12h; | 100% |
With palladium 10% on activated carbon; hydrogen In dichloromethane at 30℃; under 37503.8 Torr; Flow reactor; | 98% |
4-(4-carbomethoxyphenyl)butanal
methyl 4-(4-hydroxybut-1-yl)benzoate
Conditions | Yield |
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With magnesium(II) perchlorate In methanol; acetonitrile at 20℃; for 3h; | 92% |
4-methoxycarbonylphenyl bromide
copper(I) iodide
1-butyn-4-ol
methyl 4-(4-hydroxybut-1-yl)benzoate
Conditions | Yield |
---|---|
With triphenylphosphine; palladium(II) chloride In water; diethylamine | 75.8% |
methanol
oxalyl dichloride
butyric acid 4-phenylbutyl ester
methyl 4-(4-hydroxybut-1-yl)benzoate
Conditions | Yield |
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Stage #1: oxalyl dichloride; butyric acid 4-phenylbutyl ester With aluminum (III) chloride In dichloromethane at 0℃; for 4h; Stage #2: methanol for 48h; | 31% |
Stage #1: oxalyl dichloride; aluminum (III) chloride In dichloromethane at 0℃; for 0.0833333h; Stage #2: butyric acid 4-phenylbutyl ester In dichloromethane at 0℃; for 4h; Stage #3: methanol for 48h; pH=2; | 31% |
oxalyl dichloride
butyric acid 4-phenylbutyl ester
methyl 4-(4-hydroxybut-1-yl)benzoate
Conditions | Yield |
---|---|
Stage #1: oxalyl dichloride With aluminum (III) chloride In dichloromethane at 0℃; for 0.0833333h; Stage #2: butyric acid 4-phenylbutyl ester In dichloromethane at 0℃; for 4h; | 31% |
methyl 4-pent-4-enylbenzoate
methyl 4-(4-hydroxybut-1-yl)benzoate
Conditions | Yield |
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With sodium tetrahydroborate; ozone 1.) MeOH, CH2Cl2, -78 deg C, 2.) MeOH, CH2Cl2, from -78 deg C to RT, overnight; Multistep reaction; |
4-methoxycarbonylphenyl bromide
methyl 4-(4-hydroxybut-1-yl)benzoate
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: 80 percent / diethylamine; triphenylphosphine; copper(I) iodide / palladium chloride / 20 °C 2: 100 percent / H2 / Pd/C / methanol / 12 h / 2327.17 - 2585.74 Torr View Scheme | |
Multi-step reaction with 2 steps 1: 75.8 percent / triphenylphosphine, diethylamine, copper(I) iodide / palladium chloride / 18 h / Ambient temperature 2: 2.60 g / H2 / 5percent palladium-on-charcoal / ethanol / 12 h / 2585.7 Torr View Scheme | |
Multi-step reaction with 2 steps 1: 76 percent / palladium chloride, triphenylphosphine, copper(I) iodide, diethylamine / 18 h / Ambient temperature 2: 100 percent / hydrogen / 5percent Pd/C / ethanol / 12 h / 2585.7 Torr View Scheme |
4-methoxycarbonylphenyl bromide
methyl 4-(4-hydroxybut-1-yl)benzoate
Conditions | Yield |
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Multi-step reaction with 2 steps 1: 1.) Mg, ZnBr2, 2.) (PPh3)4Pd / 1.) THF, 56 deg C, 18 h, 2.) THF, RT, 24 h 2: 1.) O3, 2.) NaBH4 / 1.) MeOH, CH2Cl2, -78 deg C, 2.) MeOH, CH2Cl2, from -78 deg C to RT, overnight View Scheme |
4-(4-hydroxy-1-butynyl)benzoic acid methyl ester
A
methyl 4-(4-hydroxybut-1-yl)benzoate
B
4-(4-carbomethoxyphenyl)butanal
Conditions | Yield |
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With hydrogen; palladium In ethanol | A n/a B 3.20 g (97%) |
4-phenyl-butan-1-ol
methyl 4-(4-hydroxybut-1-yl)benzoate
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1.1: dichloromethane / 36 h 2.1: aluminum (III) chloride / dichloromethane / 0.08 h / 0 °C 2.2: 4 h / 0 °C View Scheme |