1-Iodoheptane

Base Information

• Chemical Name: 1-Iodoheptane
• CAS No.: 4282-40-0
• Molecular Formula: C7H15I
• Molecular Weight: 226.101
• Hs Code.: 29033080
• European Community (EC) Number: 224-285-8
• NSC Number: 7316
• DSSTox Substance ID: DTXSID2063393
• Nikkaji Number: J29.176E
• Wikidata: Q59694722
• Mol file: 4282-40-0.mol

Synonyms:1-IODOHEPTANE;4282-40-0;Heptyl iodide;n-Heptyl iodide;Heptane, 1-iodo-;iodoheptane;1-iodo-heptane;1-iodo heptane;C7H15I;NSC 7316;EINECS 224-285-8;n-heptyliodide;iodo heptane;1-iodanylheptane;1-Iodomeptane;1-iodo-n-heptane;1-Iodoheptane, 98%;SCHEMBL633570;DTXSID2063393;NSC7316;1-Iodoheptane, stabilized over Cu;C7-H15-I;NSC-7316;BBL027321;MFCD00001104;STK802052;AKOS005254387;GS-6817;LS-74343;1-Iodoheptane, purum, >=98.0% (GC);CS-0152148;FT-0607961;I0320;EN300-19791;D70828;A826016;J-802037;J-802254;Q-101205;F8880-2196;(S)-tert-butyl 2-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrrolidine-1-carboxylate

Chemical Property of 1-Iodoheptane

Chemical Property:

• Appearance/Colour: clear colorless to pale yellow-orange liquid
• Vapor Pressure: 0.386mmHg at 25°C
• Melting Point: -48 °C
• Refractive Index: n20/D 1.490(lit.)
• Boiling Point: 204 °C at 760 mmHg
• Flash Point: 78.9 °C
• PSA: 0.00000
• Density: 1.387 g/cm³
• LogP: 3.39180
• Storage Temp.: Store below +30°C.
• Sensitive.: Light Sensitive
• Solubility.: benzene: miscible(lit.)
• Water Solubility.: immiscible
• XLogP3: 4.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 5
• Exact Mass: 226.02185
• Heavy Atom Count: 8
• Complexity: 35.4

Purity/Quality:

1-Iodoheptane ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Halogenated Aliphatics, Saturated
• Canonical SMILES: CCCCCCCI
• Uses: 1-Iodoheptane is used in the functionalization of symmetrical star-shaped molecules with carborane clusters.

Technology Process of 1-Iodoheptane

There total 21 articles about 1-Iodoheptane 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: 94.0%

n-heptan1ol (111-70-6) → 1-Iodoheptane (4282-40-0)

Guidance literature:

With phosphoric acid; hydrogen iodide; at 130 ℃; for 6h;

DOI:10.1016/j.tetlet.2008.02.106

Reference yield: 93.0%

methoxymethyl heptyl ether (71739-40-7) → 1-Iodoheptane (4282-40-0)

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: 93.0%

heptanethiol (1639-09-4) → 1-Iodoheptane (4282-40-0)

Guidance literature:

With Silphos; iodine; In acetonitrile; for 0.5h; Heating;

DOI:10.1016/j.tet.2005.01.115

upstream raw materials:

1-Chloroheptane

n-heptan1ol

ethene

methyl iodide

Downstream raw materials:

ethyl-heptyl-(1-methyl-2-phenyl-ethyl)-amine

caprylnitrile

heptyl-(2-nitro-phenyl)-ether

2-heptyl-1-phenylbutane-1,3-dione

Refernces

• 1、 Chen, Yifeng,Qu, Jingping,Wu, Xianqing. "Quinim: A New Ligand Scaffold Enables Nickel-Catalyzed Enantioselective Synthesis of α-Alkylated ?-Lactam". supporting information. p. 15654 - 15660. Retrieved 2020/10/18.
• 2、 Martinez, Henry,Rebeyrol, Adele,Nelms, Taylor B.,Dolbier Jr., William R.. "Impact of fluorine substituents on the rates of nucleophilic aliphatic substitution and β-elimination". experimental part. p. 167 - 175. Retrieved 2012/03/27.