1-Iodooctane

Base Information

• Chemical Name: 1-Iodooctane
• CAS No.: 629-27-6
• Molecular Formula: C8H17I
• Molecular Weight: 240.127
• Hs Code.: 29033990
• European Community (EC) Number: 211-084-5
• DSSTox Substance ID: DTXSID4060868
• Nikkaji Number: J524J
• Wikidata: Q57905056
• Mol file: 629-27-6.mol

Synonyms:1-IODOOCTANE;629-27-6;n-Octyl iodide;Octyl iodide;Octane, 1-iodo-;1-Octyl iodide;1-n-Octyl iodide;1-Jodoktan;1-Jodoktan [Czech];1-iodo-octane;EINECS 211-084-5;BRN 1697479;C8H17I;340256-37-3;89232-08-6;iodoctane;iodooctane;n-octyliodide;1-iodoctane;1-iodo-n-octane;1-Iodooctane, 98%;1-Iodooctane;SCHEMBL84103;1-Iodooctane stabilized with Cu;DTXSID4060868;UWLHSHAHTBJTBA-UHFFFAOYSA-;BBL027322;MFCD00001105;STK802040;AKOS009031583;1-Iodooctane, purum, >=97.0% (GC);AS-56382;LS-97923;CS-0188391;FT-0607968;I0321;EN300-19406;W18672;A834094;J-802038;J-802259;Q57905056;F0001-1702;POTASSIUM(4-METHOXYCARBONYLPHENYL)TRIFLUOROBORATE

Chemical Property of 1-Iodooctane

Chemical Property:

• Appearance/Colour: clear colourless to amber liquid
• Melting Point: -46 °C
• Refractive Index: n20/D 1.4878(lit.)
• Boiling Point: 225.3 °C at 760 mmHg
• Flash Point: 95 °C
• PSA: 0.00000
• Density: 1.338 g/cm³
• LogP: 3.78190
• Storage Temp.: Store below +30°C.
• Sensitive.: Light Sensitive
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• Water Solubility.: Insoluble in water.
• XLogP3: 5.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 6
• Exact Mass: 240.03750
• Heavy Atom Count: 9
• Complexity: 43.8

Purity/Quality:

98%,99%, ^*data from raw suppliers

1-Iodooctane ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36-37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Halogenated Aliphatics, Saturated
• Canonical SMILES: CCCCCCCCI
• Uses: Alkylation of [2,2?-([2,2?-bipyridine]-6,6?-diyl)bis[phenolato]-N,N?,O,O?]nickel(II)was performed using the catalytic reduction of 1-iodooctane. Primary alkyl iodide 1-iodooctane reacts with lithium aluminum deuteride (LAD) in a 1:0.2 ratio to form 1-deuteriooctane.

Technology Process of 1-Iodooctane

There total 69 articles about 1-Iodooctane which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 97.0%

octanol (111-87-5) → 1-Iodooctane (629-27-6)

Guidance literature:

With zirconium(IV) chloride; sodium iodide; In acetonitrile; for 1.16667h; Heating;

DOI:10.1016/j.tetlet.2004.08.056

Reference yield: 93.0%

methoxymethyl octyl ether (88738-43-6) → 1-Iodooctane (629-27-6)

Guidance literature:

With phosphotungstic acid; tetra-(n-butyl)ammonium iodide; at 130 - 142 ℃; for 0.0333333h; chemoselective reaction; Microwave irradiation; Ionic liquid;

DOI:10.1016/j.crci.2010.03.015

Reference yield: 71.0%

1,3-Diisopropyl-2-octyl-isourea (52770-75-9) → 1,3-diisopropylurea (4128-37-4) + 1-Iodooctane (629-27-6)

Guidance literature:

With trifluorormethanesulfonic acid; tetra-(n-butyl)ammonium iodide; In chloroform-d1; at 65 ℃; for 2.5h;

DOI:10.1016/S0040-4039(00)96534-1

upstream raw materials:

octanol

n-chlorooctane

1-bromo-octane

n-octyl methanesulfonate

Downstream raw materials:

1-octyl-piperazine

1-methyl-4-(octyloxy)benzene

Tri-n-octylamine

n-hexacosane

Refernces

• 1、 Gobbi, Alessandro,Landini, Dario,Maia, Angelamaria,Penso, Michele. "Cation participation in nucleophilic substitution reactions promoted by complexes of polyether ligands with alkali and alkaline-earth metal salts". . p. 2505 - 2509. Retrieved 1996.
• 2、 Gourdet, Benoit,Singh, Kuldip,Stuart, Alison M.,Vidal, José A.. "Di(1H,1H,2H,2H-perfluorooctyl)-dibenzo-18-crown-6: A "light fluorous" recyclable phase transfer catalyst". . p. 1133 - 1143. Retrieved 2010.
• 3、 Bloomer, Brandon,Butcher, Trevor W.,Ciccia, Nicodemo R.,Conk, Richard J.,Hanna, Steven,Hartwig, John F.. "Contra-thermodynamic Olefin Isomerization by Chain-Walking Hydroboration and Dehydroboration". supporting information. p. 1005 - 1010. Retrieved 2022/02/10.
• 4、 Guo, Wen-Di,Hu, Bingwen,Jiang, Wei-Ling,Lou, Xiaobing,Ma, De-Li,Qi, Qiao-Yan,Shen, Ji-Chuang,Shen, Ming,Yang, Hai-Bo,Zhao, Xin. "A rings-in-pores net: Crown ether-based covalent organic frameworks for phase-transfer catalysis". supporting information. p. 595 - 598. Retrieved 2020/01/29.