1-(2-Iodoethyl)-4-octylbenzene supplier

Name
Benzene, 1-(2-iodoethyl)-4-octyl-
EINECS
CAS No. 162358-07-8
Article Data9
CAS DataBase
Density 1.261 g/cm³
Solubility
Melting Point
Formula C₁₆H₂₅I
Boiling Point 367.927 °C at 760 mmHg
Molecular Weight 344.279
Flash Point 152.798 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-(2-iodoethyl)-4-octylbenzene
PSA 0.00000
LogP 5.56710

Synthetic route

: 162358-06-7
4-octylphenethyl methanesulfonate

: 162358-07-8
1-(2-iodoethyl)-4-octylbenzene

Conditions

Conditions	Yield
With lithium iodide In tetrahydrofuran at 20℃; for 4h;	5.37 g
With sodium iodide In butanone for 2h; Iodination; Heating;	16.0 g
With sodium iodide In tetrahydrofuran at 20℃;	70 g
With tetra-(n-butyl)ammonium iodide; sodium iodide for 3h; Inert atmosphere;	150 g
With sodium iodide In acetone at 20℃; for 19h;	0.44 g

: 501-94-0
p-hydroxyphenethyl alcohol

: 162358-07-8
1-(2-iodoethyl)-4-octylbenzene

Conditions

Conditions	Yield
Multi-step reaction with 5 steps 1: 98 percent / NaHSO4 on silica / hexane / 26 h / Heating 2: 94 percent / pyridine / CH2Cl2 / 1 h / 20 °C 3: 20 percent / Fe(acac)3; NMP / tetrahydrofuran / 1 h 4: Et3N / CH2Cl2 / 1 h 5: 5.37 g / LiI / tetrahydrofuran / 4 h / 20 °C View Scheme

: 58556-55-1
2-(4-hydroxyphenyl)ethyl acetate

: 162358-07-8
1-(2-iodoethyl)-4-octylbenzene

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1: 94 percent / pyridine / CH2Cl2 / 1 h / 20 °C 2: 20 percent / Fe(acac)3; NMP / tetrahydrofuran / 1 h 3: Et3N / CH2Cl2 / 1 h 4: 5.37 g / LiI / tetrahydrofuran / 4 h / 20 °C View Scheme

: 162358-05-6
2-(4-Octylphenyl)ethyl alcohol

: 162358-07-8
1-(2-iodoethyl)-4-octylbenzene

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: Et3N / CH2Cl2 / 1 h 2: 5.37 g / LiI / tetrahydrofuran / 4 h / 20 °C View Scheme
Multi-step reaction with 2 steps 1: Et3N / CH2Cl2 / 1 h / 20 °C 2: 16.0 g / NaI / butan-2-one / 2 h / Heating View Scheme
Multi-step reaction with 2 steps 1.1: triethylamine / dichloromethane / 0.5 h 1.2: 3 h / 0 - 20 °C 2.1: sodium iodide / tetrahydrofuran / 20 °C View Scheme

: 162358-04-5
acetic acid 2-(4-octylphenyl)ethyl ester

: 162358-07-8
1-(2-iodoethyl)-4-octylbenzene

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: 93 percent / NaOMe / methanol / 8 h / 20 °C 2: Et3N / CH2Cl2 / 1 h 3: 5.37 g / LiI / tetrahydrofuran / 4 h / 20 °C View Scheme
Multi-step reaction with 3 steps 1: 3.40 g / NaOMe; MeOH / 2 h / Heating 2: Et3N / CH2Cl2 / 1 h / 20 °C 3: 16.0 g / NaI / butan-2-one / 2 h / Heating View Scheme
Multi-step reaction with 3 steps 1.1: sodium methylate / methanol / 3 h / 20 °C 2.1: triethylamine / dichloromethane / 0.5 h 2.2: 3 h / 0 - 20 °C 3.1: sodium iodide / tetrahydrofuran / 20 °C View Scheme
Multi-step reaction with 2 steps 1: sodium hydroxide / water; methanol / 0.2 - 0.3 °C 2: sodium iodide / butanone / 0.67 h / 0.8 - 0.85 °C View Scheme

: 712223-57-9
acetic acid 2-[4-(trifluoromethanesulfonyloxy)phenyl]ethyl ester

: 162358-07-8
1-(2-iodoethyl)-4-octylbenzene

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: 20 percent / Fe(acac)3; NMP / tetrahydrofuran / 1 h 2: Et3N / CH2Cl2 / 1 h 3: 5.37 g / LiI / tetrahydrofuran / 4 h / 20 °C View Scheme

: 111-64-8
n-octanoic acid chloride

: 162358-07-8
1-(2-iodoethyl)-4-octylbenzene

Conditions

Conditions	Yield
Multi-step reaction with 5 steps 1: 43 percent / AlCl3 / 1,2-dichloro-ethane / 3 h / 20 °C 2: triethylsilane; TFA / 1,2-dichloro-ethane / 3 h / 20 °C 3: 3.40 g / NaOMe; MeOH / 2 h / Heating 4: Et3N / CH2Cl2 / 1 h / 20 °C 5: 16.0 g / NaI / butan-2-one / 2 h / Heating View Scheme
Multi-step reaction with 5 steps 1.1: aluminum (III) chloride / 1,2-dichloro-ethane / 0 - 20 °C 2.1: triethylsilane; trifluoroacetic acid / 20 °C 3.1: sodium methylate / methanol / 3 h / 20 °C 4.1: triethylamine / dichloromethane / 0.5 h 4.2: 3 h / 0 - 20 °C 5.1: sodium iodide / tetrahydrofuran / 20 °C View Scheme
Multi-step reaction with 5 steps 1.1: aluminum (III) chloride / 0.01 h / 0.25 - 0.3 °C 1.2: 0 h / 0.2 - 0.5 °C 2.1: sodium hydroxide / water; methanol / 1.5 h / 0.1 - 0.3 °C 3.1: palladium 10% on activated carbon; hydrogen / 0 h / 0.4 °C / Autoclave 4.1: sodium hydroxide / water; methanol / 0.2 - 0.3 °C 5.1: sodium iodide / butanone / 0.67 h / 0.8 - 0.85 °C View Scheme

: 103-45-7
acetic acid phenethyl ester

: 162358-07-8
1-(2-iodoethyl)-4-octylbenzene

Conditions

Conditions	Yield
Multi-step reaction with 5 steps 1: 43 percent / AlCl3 / 1,2-dichloro-ethane / 3 h / 20 °C 2: triethylsilane; TFA / 1,2-dichloro-ethane / 3 h / 20 °C 3: 3.40 g / NaOMe; MeOH / 2 h / Heating 4: Et3N / CH2Cl2 / 1 h / 20 °C 5: 16.0 g / NaI / butan-2-one / 2 h / Heating View Scheme
Multi-step reaction with 5 steps 1.1: aluminum (III) chloride / 0.01 h / 0.25 - 0.3 °C 1.2: 0 h / 0.2 - 0.5 °C 2.1: sodium hydroxide / water; methanol / 1.5 h / 0.1 - 0.3 °C 3.1: palladium 10% on activated carbon; hydrogen / 0 h / 0.4 °C / Autoclave 4.1: sodium hydroxide / water; methanol / 0.2 - 0.3 °C 5.1: sodium iodide / butanone / 0.67 h / 0.8 - 0.85 °C View Scheme

: 162358-03-4
2-(4-octanoylphenyl)ethyl acetate

: 162358-07-8
1-(2-iodoethyl)-4-octylbenzene

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1: triethylsilane; TFA / 1,2-dichloro-ethane / 3 h / 20 °C 2: 3.40 g / NaOMe; MeOH / 2 h / Heating 3: Et3N / CH2Cl2 / 1 h / 20 °C 4: 16.0 g / NaI / butan-2-one / 2 h / Heating View Scheme
Multi-step reaction with 4 steps 1.1: triethylsilane; trifluoroacetic acid / 20 °C 2.1: sodium methylate / methanol / 3 h / 20 °C 3.1: triethylamine / dichloromethane / 0.5 h 3.2: 3 h / 0 - 20 °C 4.1: sodium iodide / tetrahydrofuran / 20 °C View Scheme
Multi-step reaction with 4 steps 1: sodium hydroxide / water; methanol / 1.5 h / 0.1 - 0.3 °C 2: palladium 10% on activated carbon; hydrogen / 0 h / 0.4 °C / Autoclave 3: sodium hydroxide / water; methanol / 0.2 - 0.3 °C 4: sodium iodide / butanone / 0.67 h / 0.8 - 0.85 °C View Scheme

: 268557-54-6
1-(2-bromoethyl)-4-octylbenzene

: 162358-07-8
1-(2-iodoethyl)-4-octylbenzene

Conditions

Conditions	Yield
In butanone

: 219307-01-4
4'-(2-iodoethyl)octanophenone

: 162358-07-8
1-(2-iodoethyl)-4-octylbenzene

Conditions

Conditions	Yield
With triethylsilane In trifluoroacetic acid

: 288-32-4
1H-imidazole

: ethyl acetate n-hexane

: 162358-05-6
2-(4-Octylphenyl)ethyl alcohol

: 162358-07-8
1-(2-iodoethyl)-4-octylbenzene

Conditions

Conditions	Yield
With iodine; triphenylphosphine In ether (200 ml)-acetonitrile

...Expand

: 122-79-2
Phenyl acetate

: 162358-07-8
1-(2-iodoethyl)-4-octylbenzene

Conditions

Conditions	Yield
Multi-step reaction with 5 steps 1.1: aluminum (III) chloride / 1,2-dichloro-ethane / 0 - 20 °C 2.1: triethylsilane; trifluoroacetic acid / 20 °C 3.1: sodium methylate / methanol / 3 h / 20 °C 4.1: triethylamine / dichloromethane / 0.5 h 4.2: 3 h / 0 - 20 °C 5.1: sodium iodide / tetrahydrofuran / 20 °C View Scheme

: 219307-07-0
4'-(2-hydroxyethyl)octanophenone

: 162358-07-8
1-(2-iodoethyl)-4-octylbenzene

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: palladium 10% on activated carbon; hydrogen / 0 h / 0.4 °C / Autoclave 2: sodium hydroxide / water; methanol / 0.2 - 0.3 °C 3: sodium iodide / butanone / 0.67 h / 0.8 - 0.85 °C View Scheme

: 52914-23-5
4-iodophenethyl alcohol

: 162358-07-8
1-(2-iodoethyl)-4-octylbenzene

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1: tetrakis(triphenylphosphine) palladium(0); copper(l) iodide; triethylamine / 17 h / 20 °C / Inert atmosphere 2: palladium 10% on activated carbon; hydrogen / ethyl acetate / 17 h / 20 °C 3: triethylamine / dichloromethane / 3 h / 0 - 20 °C 4: sodium iodide / acetone / 19 h / 20 °C View Scheme

: 629-05-0
n-octyne

: 162358-07-8
1-(2-iodoethyl)-4-octylbenzene

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1: tetrakis(triphenylphosphine) palladium(0); copper(l) iodide; triethylamine / 17 h / 20 °C / Inert atmosphere 2: palladium 10% on activated carbon; hydrogen / ethyl acetate / 17 h / 20 °C 3: triethylamine / dichloromethane / 3 h / 0 - 20 °C 4: sodium iodide / acetone / 19 h / 20 °C View Scheme

: 2-(4-(oct-1-yn-1-yl)phenyl)-1-ethanol

: 162358-07-8
1-(2-iodoethyl)-4-octylbenzene

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: palladium 10% on activated carbon; hydrogen / ethyl acetate / 17 h / 20 °C 2: triethylamine / dichloromethane / 3 h / 0 - 20 °C 3: sodium iodide / acetone / 19 h / 20 °C View Scheme

: 162358-07-8
1-(2-iodoethyl)-4-octylbenzene

: 1-ethyl-4-octylbenzene

Conditions

Conditions	Yield
With water; zinc In acetonitrile at 25℃; for 12h; Sealed tube; Inert atmosphere;	93%
With water; zinc In acetonitrile at 25℃; for 12h; Inert atmosphere; Sealed tube;	93%

: 162358-07-8
1-(2-iodoethyl)-4-octylbenzene

: 1-(ethyl-2-d)-4-octylbenzene

Conditions

Conditions	Yield
With water-d2; zinc In acetonitrile at 25℃; for 12h; Time; Inert atmosphere; Sealed tube;	92%
With water-d2; zinc In acetonitrile at 25℃; for 12h; Inert atmosphere; Sealed tube;	92%

: 1068-90-2
2-acetylaminomalonic acid diethyl ester

: 162358-07-8
1-(2-iodoethyl)-4-octylbenzene

: 162358-08-9
diethyl 2-acetamido-2-[2-(4-octylphenyl)ethyl]malonate

Conditions

Conditions	Yield
With tetra-(n-butyl)ammonium iodide; caesium carbonate In dimethyl sulfoxide at 25 - 85℃; Inert atmosphere;	88%
Stage #1: 2-acetylaminomalonic acid diethyl ester With sodium hydride In N,N-dimethyl-formamide for 30h; Stage #2: 2-(4-octylphenyl)-1-iodoethane In N,N-dimethyl-formamide at 50 - 60℃; for 1h;	82%
Stage #1: 2-acetylaminomalonic acid diethyl ester With sodium ethanolate In ethanol at 20℃; for 0.5h; Metallation; Stage #2: 2-(4-octylphenyl)-1-iodoethane In ethanol at 65℃; for 3h; Alkylation; Further stages.;	61%

: 78342-42-4
(S)-2-isopropyl-3,6-dimethoxy-2,5-dihydropyrazine

: 162358-07-8
1-(2-iodoethyl)-4-octylbenzene

: (2R,5S)-5-isopropyl-3,6-dimethoxy-2-(4-octylphenethyl)-2,5-dihydro-pyrazine

Conditions

Conditions	Yield
Stage #1: (S)-2-isopropyl-3,6-dimethoxy-2,5-dihydropyrazine With n-butyllithium In tetrahydrofuran; hexane at -78℃; for 0.25h; Stage #2: 2-(4-octylphenyl)-1-iodoethane In tetrahydrofuran at -78 - -15℃; for 4h;	83%

: 22455-91-0
diethyl 4-(tetrahydropyran-2-yloxy)butane-1,1-dicarboxylate

: 162358-07-8
1-(2-iodoethyl)-4-octylbenzene

: 177260-23-0
diethyl 2-[2-(4-octylphenyl)ethyl]-2-[3-(tetrahydro-2H-pyran-2-yloxy)propyl]malonate

Conditions

Conditions	Yield
Stage #1: diethyl 4-(tetrahydropyran-2-yloxy)butane-1,1-dicarboxylate With sodium hydride In N,N-dimethyl-formamide for 0.5h; Metallation; Stage #2: 2-(4-octylphenyl)-1-iodoethane In N,N-dimethyl-formamide for 3h; Alkylation; Further stages.;	76%

: 162358-07-8
1-(2-iodoethyl)-4-octylbenzene

: 90877-70-6, 4977-62-2
ethyl 2-acetamido-2-cyanoacetate

: 296282-66-1
ethyl 2-acetamido-2-cyano-4-(4-octylphenyl)butyrate

Conditions

Conditions	Yield
Stage #1: ethyl 2-acetamido-2-cyanoacetate With sodium ethanolate In ethanol at 20℃; for 0.5h; Metallation; Stage #2: 2-(4-octylphenyl)-1-iodoethane In ethanol at 65℃; for 3h; Alkylation; Further stages.;	75%

: 25823-84-1
diethyl 3-(tetrahydropyran-2-yloxy)propane-1,1-dicarboxylate

: 162358-07-8
1-(2-iodoethyl)-4-octylbenzene

: 1026240-85-6
2-[2-(4-octyl-phenyl)-ethyl]-2-[2-(tetrahydro-pyran-2-yloxy)-ethyl]-malonic acid diethyl ester

Conditions

Conditions	Yield
Stage #1: diethyl 3-(tetrahydropyran-2-yloxy)propane-1,1-dicarboxylate With sodium hydride In N,N-dimethyl-formamide for 0.5h; Metallation; Stage #2: 2-(4-octylphenyl)-1-iodoethane In N,N-dimethyl-formamide for 3h; Alkylation; Further stages.;

: 162358-07-8
1-(2-iodoethyl)-4-octylbenzene

: 162359-55-9
fingolimod

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1.1: sodium ethoxide / ethanol / 0.5 h / 20 °C 1.2: 61 percent / ethanol / 3 h / 65 °C 2.1: LiAlH4 / tetrahydrofuran / 2 h / 20 °C 3.1: 8.25 g / pyridine / 16 h / 20 °C 4.1: 2 N aq. LiOH / methanol / 2 h / Heating View Scheme
Multi-step reaction with 3 steps 1.1: sodium hydride / N,N-dimethyl-formamide / 0.5 h / 0.45 - 0.5 °C / Inert atmosphere 1.2: 0.4 - 0.45 °C / Inert atmosphere 2.1: calcium chloride / water; isopropyl alcohol / 0 h / 0.2 - 0.3 °C 2.2: 0.01 h / 0 - 0.5 °C 2.3: 0 h / 0.15 - 0.5 °C 3.1: sodium hydroxide / water; methanol / 2 h / Reflux View Scheme
Multi-step reaction with 2 steps 1.1: caesium carbonate; tetrabutylammomium bromide / toluene / Inert atmosphere; Reflux 2.1: calcium chloride / ethanol; water 2.2: 10 - 15 °C 2.3: Reflux View Scheme

: 162358-07-8
1-(2-iodoethyl)-4-octylbenzene

: 296282-46-7
2-amino-2-hydroxymethyl-4-(4-octyl-phenyl)-butyric acid

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1.1: sodium ethoxide / ethanol / 0.5 h / 20 °C 1.2: 75 percent / ethanol / 3 h / 65 °C 2.1: 54 percent / LiBH4 / tetrahydrofuran / 6 h / Heating 3.1: 66 percent / aq. HCl; AcOH / 7 h / Heating View Scheme

: 162358-07-8
1-(2-iodoethyl)-4-octylbenzene

: 3-isocyanato-3-[2-(4-octyl-phenyl)-ethyl]-dihydro-furan-2-one

Conditions

Conditions	Yield
Multi-step reaction with 6 steps 1.1: NaH / dimethylformamide / 0.5 h 1.2: dimethylformamide / 3 h 2.1: 1 N aq. HCl / methanol / 5 h 3.1: 0.25 N aq. NaOH / acetone / 1.5 h / 20 °C 4.1: Et3N / tetrahydrofuran / 0.25 h / -5 °C 5.1: aq. NaN3 / tetrahydrofuran / 1 h / 0 °C 6.1: benzene / 1 h / Heating View Scheme

: 162358-07-8
1-(2-iodoethyl)-4-octylbenzene

: 2-amino-2-[2-(4-octylphenyl)ethyl]butane-1,4-diol

Conditions

Conditions	Yield
Multi-step reaction with 11 steps 1.1: NaH / dimethylformamide / 0.5 h 1.2: dimethylformamide / 3 h 2.1: 1 N aq. HCl / methanol / 5 h 3.1: 0.25 N aq. NaOH / acetone / 1.5 h / 20 °C 4.1: Et3N / tetrahydrofuran / 0.25 h / -5 °C 5.1: aq. NaN3 / tetrahydrofuran / 1 h / 0 °C 6.1: benzene / 1 h / Heating 7.1: benzene / 7 h / Heating 8.1: LiBH4 / tetrahydrofuran / 0.5 h / Heating 9.1: pyridine / 13 h / 20 °C 10.1: Me3SiI / CH2Cl2 / 7 h 10.2: pyridine / 13 h 11.1: 2 M aq. LiOH / tetrahydrofuran; methanol / 2 h / Heating View Scheme

Yield

Multi-step reaction with 11 steps
1.1: NaH / dimethylformamide / 0.5 h
1.2: dimethylformamide / 3 h
2.1: 1 N aq. HCl / methanol / 5 h
3.1: 0.25 N aq. NaOH / acetone / 1.5 h / 20 °C
4.1: Et3N / tetrahydrofuran / 0.25 h / -5 °C
5.1: aq. NaN3 / tetrahydrofuran / 1 h / 0 °C
6.1: benzene / 1 h / Heating
7.1: benzene / 7 h / Heating
8.1: LiBH4 / tetrahydrofuran / 0.5 h / Heating
9.1: pyridine / 13 h / 20 °C
10.1: Me3SiI / CH2Cl2 / 7 h
10.2: pyridine / 13 h
11.1: 2 M aq. LiOH / tetrahydrofuran; methanol / 2 h / Heating
View Scheme

: 162358-07-8
1-(2-iodoethyl)-4-octylbenzene

: 296282-78-5
N-[1-cyano-1-hydroxymethyl-3-(4-octylphenyl)propyl]acetamide

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1.1: sodium ethoxide / ethanol / 0.5 h / 20 °C 1.2: 75 percent / ethanol / 3 h / 65 °C 2.1: 54 percent / LiBH4 / tetrahydrofuran / 6 h / Heating View Scheme

: 162358-07-8
1-(2-iodoethyl)-4-octylbenzene

: 1027589-49-6
3-[2-(4-octyl-phenyl)-ethyl]-2-oxo-tetrahydro-furan-3-carboxylic acid

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1.1: NaH / dimethylformamide / 0.5 h 1.2: dimethylformamide / 3 h 2.1: 1 N aq. HCl / methanol / 5 h 3.1: 0.25 N aq. NaOH / acetone / 1.5 h / 20 °C View Scheme

: 162358-07-8
1-(2-iodoethyl)-4-octylbenzene

: 2-amino-2-[2-(4-octylphenyl)ethyl]pentane-1,5-diol

Conditions

Conditions	Yield
Multi-step reaction with 9 steps 1.1: NaH / dimethylformamide / 0.5 h 1.2: 76 percent / dimethylformamide / 3 h 2.1: KOH / ethanol / 6 h / 50 °C 3.1: Et3N / tetrahydrofuran / 0.25 h / -5 °C 4.1: aq. NaN3 / tetrahydrofuran / 1 h / 0 °C 5.1: benzene / 1 h / Heating 6.1: benzene / 7 h / Heating 7.1: LiBH4 / tetrahydrofuran / 3 h / Heating 8.1: 5 N aq. KOH / tetrahydrofuran; methanol / 13 h / Heating 9.1: HCl; MeOH / diethyl ether / 0.5 h View Scheme

Yield

Multi-step reaction with 9 steps
1.1: NaH / dimethylformamide / 0.5 h
1.2: 76 percent / dimethylformamide / 3 h
2.1: KOH / ethanol / 6 h / 50 °C
3.1: Et3N / tetrahydrofuran / 0.25 h / -5 °C
4.1: aq. NaN3 / tetrahydrofuran / 1 h / 0 °C
5.1: benzene / 1 h / Heating
6.1: benzene / 7 h / Heating
7.1: LiBH4 / tetrahydrofuran / 3 h / Heating
8.1: 5 N aq. KOH / tetrahydrofuran; methanol / 13 h / Heating
9.1: HCl; MeOH / diethyl ether / 0.5 h
View Scheme

: 162358-07-8
1-(2-iodoethyl)-4-octylbenzene

: 249289-10-9
N-(1-hydroxy-2-(hydroxymethyl)-4-(4-octylphenyl) butan-2-yl) acetamide

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1.1: sodium ethoxide / ethanol / 0.5 h / 20 °C 1.2: 61 percent / ethanol / 3 h / 65 °C 2.1: LiAlH4 / tetrahydrofuran / 2 h / 20 °C View Scheme
Multi-step reaction with 2 steps 1.1: caesium carbonate / dimethyl sulfoxide / 3 h / 60 °C / Inert atmosphere 1.2: 60 - 80 °C 2.1: sodium tetrahydroborate / methanol / 20 °C View Scheme
Multi-step reaction with 2 steps 1.1: caesium carbonate; tetrabutylammomium bromide / toluene / Inert atmosphere; Reflux 2.1: calcium acetate / isopropyl alcohol / 0.5 h / 10 - 15 °C 2.2: 10 - 15 °C View Scheme

: 162358-07-8
1-(2-iodoethyl)-4-octylbenzene

: 1027929-75-4
3-[2-(4-octyl-phenyl)-ethyl]-2-oxo-tetrahydro-furan-3-carboxylic acid ethyl ester

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1.1: NaH / dimethylformamide / 0.5 h 1.2: dimethylformamide / 3 h 2.1: 1 N aq. HCl / methanol / 5 h View Scheme

: 162358-07-8
1-(2-iodoethyl)-4-octylbenzene

: 3-[2-(4-octyl-phenyl)-ethyl]-2-oxo-tetrahydro-furan-3-carbonyl azide

Conditions

Conditions	Yield
Multi-step reaction with 5 steps 1.1: NaH / dimethylformamide / 0.5 h 1.2: dimethylformamide / 3 h 2.1: 1 N aq. HCl / methanol / 5 h 3.1: 0.25 N aq. NaOH / acetone / 1.5 h / 20 °C 4.1: Et3N / tetrahydrofuran / 0.25 h / -5 °C 5.1: aq. NaN3 / tetrahydrofuran / 1 h / 0 °C View Scheme

: 162358-07-8
1-(2-iodoethyl)-4-octylbenzene

: 177259-57-3
2-Methoxycarbonylamino-2-[2-(4-octylphenyl)ethyl]-γ-butyrolactone

Conditions

Conditions	Yield
Multi-step reaction with 7 steps 1.1: NaH / dimethylformamide / 0.5 h 1.2: dimethylformamide / 3 h 2.1: 1 N aq. HCl / methanol / 5 h 3.1: 0.25 N aq. NaOH / acetone / 1.5 h / 20 °C 4.1: Et3N / tetrahydrofuran / 0.25 h / -5 °C 5.1: aq. NaN3 / tetrahydrofuran / 1 h / 0 °C 6.1: benzene / 1 h / Heating 7.1: benzene / 7 h / Heating View Scheme

: 162358-07-8
1-(2-iodoethyl)-4-octylbenzene

: 177258-50-3
2-Methoxycarbonylamino-2-[2-(4-octylphenyl)ethyl]butane 1,4-diol

Conditions

Conditions	Yield
Multi-step reaction with 8 steps 1.1: NaH / dimethylformamide / 0.5 h 1.2: dimethylformamide / 3 h 2.1: 1 N aq. HCl / methanol / 5 h 3.1: 0.25 N aq. NaOH / acetone / 1.5 h / 20 °C 4.1: Et3N / tetrahydrofuran / 0.25 h / -5 °C 5.1: aq. NaN3 / tetrahydrofuran / 1 h / 0 °C 6.1: benzene / 1 h / Heating 7.1: benzene / 7 h / Heating 8.1: LiBH4 / tetrahydrofuran / 0.5 h / Heating View Scheme

: 162358-07-8
1-(2-iodoethyl)-4-octylbenzene

: 162358-09-0
2-acetamido-2-[2-(4-octylphenyl)ethyl]propane-1,3-diol diacetate

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1.1: sodium ethoxide / ethanol / 0.5 h / 20 °C 1.2: 61 percent / ethanol / 3 h / 65 °C 2.1: LiAlH4 / tetrahydrofuran / 2 h / 20 °C 3.1: 8.25 g / pyridine / 16 h / 20 °C View Scheme
Multi-step reaction with 2 steps 1.1: sodium hydride / N,N-dimethyl-formamide / 0.5 h / 0.45 - 0.5 °C / Inert atmosphere 1.2: 0.4 - 0.45 °C / Inert atmosphere 2.1: calcium chloride / water; isopropyl alcohol / 0 h / 0.2 - 0.3 °C 2.2: 0.01 h / 0 - 0.5 °C 2.3: 0 h / 0.15 - 0.5 °C View Scheme
Multi-step reaction with 3 steps 1.1: caesium carbonate; tetrabutylammomium bromide / toluene / Inert atmosphere; Reflux 2.1: calcium acetate / isopropyl alcohol / 0.5 h / 10 - 15 °C 2.2: 10 - 15 °C 3.1: pyridine / 0.08 h 3.2: 0 - 5 °C View Scheme
Multi-step reaction with 3 steps 1.1: caesium carbonate; tetrabutylammomium bromide / toluene / Inert atmosphere; Reflux 2.1: calcium acetate / isopropyl alcohol / 0.5 h / 10 - 15 °C 2.2: 10 - 15 °C 3.1: pyridine 3.2: 0 - 5 °C View Scheme

: 162358-07-8
1-(2-iodoethyl)-4-octylbenzene

: C24H34O6

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1.1: NaH / dimethylformamide / 0.5 h 1.2: dimethylformamide / 3 h 2.1: 1 N aq. HCl / methanol / 5 h 3.1: 0.25 N aq. NaOH / acetone / 1.5 h / 20 °C 4.1: Et3N / tetrahydrofuran / 0.25 h / -5 °C View Scheme

1-(2-Iodoethyl)-4-octylbenzene Specification

The Benzene, 1-(2-iodoethyl)-4-octyl-, with the CAS registry number 162358-07-8, belongs to the product category of Aromatics. This chemical's molecular formula is C₁₆H₂₅I and molecular weight is 344.10. What's more, its systematic name is called 1-(2-Iodoethyl)-4-octylbenzene.

Physical properties about Benzene, 1-(2-iodoethyl)-4-octyl- are: (1)ACD/LogP: 7.785; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.79; (4)ACD/LogD (pH 7.4): 7.79; (5)ACD/BCF (pH 5.5): 486353.60; (6)ACD/BCF (pH 7.4): 486353.60; (7)ACD/KOC (pH 5.5): 409536.20; (8)ACD/KOC (pH 7.4): 409536.20; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 0 Å²; (13)Index of Refraction: 1.544; (14)Molar Refractivity: 86.118 cm³; (15)Molar Volume: 272.935 cm³; (16)Surface Tension: 37.00 dyne/cm; (17)Density: 1.261 g/cm³; (18)Flash Point: 152.798 °C; (19)Enthalpy of Vaporization: 59.036 kJ/mol; (20)Boiling Point: 367.927 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: ICCc1ccc(cc1)CCCCCCCC
(2) InChI: InChI=1S/C16H25I/c1-2-3-4-5-6-7-8-15-9-11-16(12-10-15)13-14-17/h9-12H,2-8,13-14H2,1H3
(3) InChIKey: YURZVKRFVMTWMC-UHFFFAOYSA-N

Product Name

Benzene, 1-(2-iodoethyl)-4-octyl-

Synthetic route

1-(2-Iodoethyl)-4-octylbenzene Specification

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