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249289-07-4

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Basic Information
CAS No.: 249289-07-4
Name: Diethyl 2-(4-octanoylphenethyl)-2-acetamidomalonate
Article Data: 3
Molecular Structure:
Molecular Structure of 249289-07-4 (Diethyl 2-(4-octanoylphenethyl)-2-acetamidomalonate)
Formula: C25H37NO6
Molecular Weight: 447.572
PSA: 98.77000
LogP: 4.55440
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Synthetic route
111-64-8

n-octanoic acid chloride

162359-95-7

2-acetamido-1,3-diacetoxy-2-(2-phenylethyl)propane

249289-07-4

2-acetamido-2-[2-(4-octanoylphenyl)ethyl]propane-1,3-diol diacetate

Conditions
ConditionsYield
With aluminum (III) chloride; 1,2-dichloro-ethane at 0 - 20℃; for 18.5h; Friedel-Crafts Acylation;81%
With aluminium trichloride In 1,2-dichloro-ethane at 20℃; for 12h; Friedel-Crafts acylation;64%
Stage #1: n-octanoic acid chloride With aluminum (III) chloride In 1,2-dichloro-ethane at -15 - -10℃; for 1.5h; Inert atmosphere;
Stage #2: 2-acetamido-1,3-diacetoxy-2-(2-phenylethyl)propane In 1,2-dichloro-ethane at -15 - 20℃; for 19h; Inert atmosphere;
5463-92-3

2-acetylamino-2-phenylethylmalonic acid diethyl ester

249289-07-4

2-acetamido-2-[2-(4-octanoylphenyl)ethyl]propane-1,3-diol diacetate

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: LiAlH4 / tetrahydrofuran / 2 h / 20 °C
2: pyridine / 16 h / 20 °C
3: 64 percent / AlCl3 / 1,2-dichloro-ethane / 12 h / 20 °C
View Scheme
Multi-step reaction with 3 steps
1: sodium tetrahydroborate / methanol / 18 h / 0 - 20 °C
2: pyridine / 15 h / 20 °C
3: aluminum (III) chloride; 1,2-dichloro-ethane / 18.5 h / 0 - 20 °C
View Scheme
103-63-9

1-phenyl-2-bromoethane

249289-07-4

2-acetamido-2-[2-(4-octanoylphenyl)ethyl]propane-1,3-diol diacetate

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1.1: sodium ethoxide / ethanol / 0.5 h / 20 °C
1.2: ethanol / 3 h / 65 °C
2.1: LiAlH4 / tetrahydrofuran / 2 h / 20 °C
3.1: pyridine / 16 h / 20 °C
4.1: 64 percent / AlCl3 / 1,2-dichloro-ethane / 12 h / 20 °C
View Scheme
Multi-step reaction with 4 steps
1: caesium carbonate / dimethyl sulfoxide / 6 h / 65 °C
2: sodium tetrahydroborate / methanol / 18 h / 0 - 20 °C
3: pyridine / 15 h / 20 °C
4: aluminum (III) chloride; 1,2-dichloro-ethane / 18.5 h / 0 - 20 °C
View Scheme
1068-90-2

2-acetylaminomalonic acid diethyl ester

(+-)-<2-bromo-ethyl>-phenyl-phosphinic acid ethyl ester

(+-)-<2-bromo-ethyl>-phenyl-phosphinic acid ethyl ester

249289-07-4

2-acetamido-2-[2-(4-octanoylphenyl)ethyl]propane-1,3-diol diacetate

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1.1: sodium ethoxide / ethanol / 0.5 h / 20 °C
1.2: ethanol / 3 h / 65 °C
2.1: LiAlH4 / tetrahydrofuran / 2 h / 20 °C
3.1: pyridine / 16 h / 20 °C
4.1: 64 percent / AlCl3 / 1,2-dichloro-ethane / 12 h / 20 °C
View Scheme

N-(1-hydroxy-2-(hydroxymethyl)-4-phenylbut-2-yl)acetamide

249289-07-4

2-acetamido-2-[2-(4-octanoylphenyl)ethyl]propane-1,3-diol diacetate

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: pyridine / 16 h / 20 °C
2: 64 percent / AlCl3 / 1,2-dichloro-ethane / 12 h / 20 °C
View Scheme
Multi-step reaction with 2 steps
1: pyridine / 15 h / 20 °C
2: aluminum (III) chloride; 1,2-dichloro-ethane / 18.5 h / 0 - 20 °C
View Scheme
1068-90-2

2-acetylaminomalonic acid diethyl ester

249289-07-4

2-acetamido-2-[2-(4-octanoylphenyl)ethyl]propane-1,3-diol diacetate

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1: caesium carbonate / dimethyl sulfoxide / 6 h / 65 °C
2: sodium tetrahydroborate / methanol / 18 h / 0 - 20 °C
3: pyridine / 15 h / 20 °C
4: aluminum (III) chloride; 1,2-dichloro-ethane / 18.5 h / 0 - 20 °C
View Scheme
249289-07-4

2-acetamido-2-[2-(4-octanoylphenyl)ethyl]propane-1,3-diol diacetate

162358-09-0

2-acetamido-2-[2-(4-octylphenyl)ethyl]propane-1,3-diol diacetate

Conditions
ConditionsYield
With palladium 10% on activated carbon; hydrogen In ethanol at 20℃; for 2h;95%
With palladium 10% on activated carbon; hydrogen In ethanol at 20℃;6.3 g
249289-07-4

2-acetamido-2-[2-(4-octanoylphenyl)ethyl]propane-1,3-diol diacetate

249289-08-5

1-[4-(3-amino-4-hydroxy-3-hydroxymethyl-butyl)-phenyl]-octan-1-one

Conditions
ConditionsYield
With lithium hydroxide In tetrahydrofuran; methanol for 3h; Hydrolysis; Heating;51%
249289-07-4

2-acetamido-2-[2-(4-octanoylphenyl)ethyl]propane-1,3-diol diacetate

2-amino-2-{2-[4-(1-hydroxy-octyl)-phenyl]-ethyl}-propane-1,3-diol

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 51 percent / 2 N aq. LiOH / methanol; tetrahydrofuran / 3 h / Heating
2: 66 percent / NaBH4 / ethanol / 3 h / 20 °C
View Scheme
249289-07-4

2-acetamido-2-[2-(4-octanoylphenyl)ethyl]propane-1,3-diol diacetate

2-amino-2-[2-[4-(1-hydroxyiminooctyl)phenyl]ethyl]propane-1,3-diol

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 51 percent / 2 N aq. LiOH / methanol; tetrahydrofuran / 3 h / Heating
2: 25 percent / H2NOH*HCl / ethanol; CHCl3 / 1.5 h / Heating
View Scheme
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