1,3-Diiodopropane

Base Information

• Chemical Name: 1,3-Diiodopropane
• CAS No.: 627-31-6
• Molecular Formula: C3H6I2
• Molecular Weight: 295.89
• Hs Code.: 29033080
• European Community (EC) Number: 210-993-4
• NSC Number: 35647
• UNII: K9QFA94XGY
• DSSTox Substance ID: DTXSID7060837
• Nikkaji Number: J6.866G
• Wikidata: Q161505
• Mol file: 627-31-6.mol

Synonyms:1,3-Diiodopropane;NSC 35647;Trimethylene diiodide;a,w-Diiodopropane;

Chemical Property of 1,3-Diiodopropane

Chemical Property:

• Appearance/Colour: light brown-yellow liquid, darkening with exposure to light
• Vapor Pressure: 0.114mmHg at 25°C
• Melting Point: -20°C
• Refractive Index: n20/D 1.642(lit.)
• Boiling Point: 227.8 °C at 760 mmHg
• Flash Point: 109.9 °C
• PSA: 0.00000
• Density: 2.557 g/cm³
• LogP: 2.24650
• Storage Temp.: 2-8°C
• Sensitive.: Light Sensitive
• Water Solubility.: Insoluble in water.
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 295.85590
• Heavy Atom Count: 5
• Complexity: 12.4

Purity/Quality:

99.9% ^*data from raw suppliers

1,3-Diiodopropane (stabilized with Copper chip) >97.0%(GC) ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Halogenated Aliphatics, Saturated
• Canonical SMILES: C(CI)CI
• Uses: 1,3-Diiodopropane is used as a reagent for organic synthesis. 1, 3-Diiodopropane is a important organic intermediate. It can be used in agrochemical, pharmaceutical and dyestuff field.

Technology Process of 1,3-Diiodopropane

There total 17 articles about 1,3-Diiodopropane 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: 99.0%

1,3-dibromo-propane (109-64-8) → 1,3-Diiodopropane (627-31-6)

Guidance literature:

With sodium iodide; In acetone; at 50 ℃;

DOI:10.1055/s-0034-1380191

Reference yield: 90.0%

1,3-propanediylbis{triphenylplumbane} (134879-53-1) → iodobenzene (591-50-4) + 1,3-Diiodopropane (627-31-6) + lead(II) iodide (10101-63-0)

Guidance literature:

With I₂; In chloroform-d1; (N2), stirred, treated with 6 equiv I2 at 25°C; filtered; NMR, IR, mass. spectra;

DOI:10.1021/om00054a069

Reference yield: 24.0%

3-chloropropyl thiocyanate (53310-50-2) → 1,3-Diiodopropane (627-31-6) + 1,3-bis(thiocyanato)propane (7314-74-1) + 3-iodopropyl thiocyanate (1453200-86-6)

Guidance literature:

With sodium iodide; In acetone; for 24h; Reflux;

DOI:10.3762/bjoc.9.115

upstream raw materials:

diiodomethane

ethene

1,5-bis(p-toluenesulphonyl)-1,5-diazacyclooctane

acetone

Downstream raw materials:

(+/-)-trans-cyclopentane-1,2-dicarboxylic acid diethyl ester

1-(3-Iodo-propyl)-2-oxo-cyclohexanecarboxylic acid ethyl ester

1-(2,2-dimethoxyethyl)-1-tosylcyclobutane

1,3-di(furan-2-yl)propane

Refernces

• 1、 Gobbo, Pierangelo,Gunawardene, Praveen,Luo, Wilson,Workentin, Mark S.. "Synthesis of a toolbox of clickable rhodamine B derivatives". supporting information. p. 1169 - 1174. Retrieved 2015/03/31.
• 2、 Loeser, Reik,Fischer, Steffen,Hiller, Achim,Koeckerling, Martin,Funke, Uta,Maisonial, Aurelie,Brust, Peter,Steinbach, Joerg. "Use of 3-[18F]fluoropropanesulfonyl chloride as a prosthetic agent for the radiolabelling of amines: Investigation of precursor molecules, labelling conditions and enzymatic stability of the corresponding sulfonamides". supporting information. p. 1002 - 1011. Retrieved 2013/07/19.