Products Categories
CAS No.: | 162358-07-8 |
---|---|
Name: | Benzene, 1-(2-iodoethyl)-4-octyl- |
Article Data: | 9 |
Molecular Structure: | |
Formula: | C16H25I |
Molecular Weight: | 344.279 |
Synonyms: | 1-(2-iodoethyl)-4-octylbenzene |
Density: | 1.261 g/cm3 |
Boiling Point: | 367.927 °C at 760 mmHg |
Flash Point: | 152.798 °C |
PSA: | 0.00000 |
LogP: | 5.56710 |
4-octylphenethyl methanesulfonate
1-(2-iodoethyl)-4-octylbenzene
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 |
p-hydroxyphenethyl alcohol
1-(2-iodoethyl)-4-octylbenzene
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 |
2-(4-hydroxyphenyl)ethyl acetate
1-(2-iodoethyl)-4-octylbenzene
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 |
2-(4-Octylphenyl)ethyl alcohol
1-(2-iodoethyl)-4-octylbenzene
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 |
acetic acid 2-(4-octylphenyl)ethyl ester
1-(2-iodoethyl)-4-octylbenzene
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 |
acetic acid 2-[4-(trifluoromethanesulfonyloxy)phenyl]ethyl ester
1-(2-iodoethyl)-4-octylbenzene
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 |
n-octanoic acid chloride
1-(2-iodoethyl)-4-octylbenzene
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 |
acetic acid phenethyl ester
1-(2-iodoethyl)-4-octylbenzene
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 |
2-(4-octanoylphenyl)ethyl acetate
1-(2-iodoethyl)-4-octylbenzene
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 |
1-(2-bromoethyl)-4-octylbenzene
1-(2-iodoethyl)-4-octylbenzene
Conditions | Yield |
---|---|
In butanone |
What can I do for you?
Get Best Price
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