1-Chloro-3-iodopropane

Base Information

• Chemical Name: 1-Chloro-3-iodopropane
• CAS No.: 6940-76-7
• Molecular Formula: C3H6ClI
• Molecular Weight: 204.438
• Hs Code.: 29037990
• European Community (EC) Number: 230-088-8
• NSC Number: 60189
• DSSTox Substance ID: DTXSID3064512
• Nikkaji Number: J208.246B
• Wikidata: Q81991615
• Mol file: 6940-76-7.mol

Synonyms:1-Chloro-3-iodopropane;6940-76-7;Propane, 1-chloro-3-iodo-;3-Chloropropyl iodide;C3H6ClI;1-chloro-3-iodo-propane;EINECS 230-088-8;MFCD00001096;NSC 60189;Trimethylene chloroiodide;3-chloroiodopropane;NSC60189;3-chloro-iodopropane;1-chloro-3iodopropane;1-choro-3-iodopropane;3-chloro-l-iodopropane;1-iodo-3-chloropropane;3-chloro-1-iodopropane;3-iodo-1-chloropropane;1 -chloro-3-iodopropane;1-chloro-3-iodo propane;1 -chloro-3-iodo-propane;C3-H6-Cl-I;SCHEMBL114898;1-Chloro-3-iodopropane, 99%;DTXSID3064512;AMY25762;AC1314;NSC-60189;AKOS015912742;CS-W018493;CS-11851;SY031611;1-Chloro-3-iodopropane Stabilized over Cu;C1037;FT-0607618;EN300-68297;J-504508;J-802029

Chemical Property of 1-Chloro-3-iodopropane

Chemical Property:

• Appearance/Colour: CLEAR SLIGHTLY YELLOWISH TO LIGHT PINK LIQUID
• Vapor Pressure: 2 mm Hg ( 20 °C)
• Refractive Index: n20/D 1.548(lit.)
• Boiling Point: 166.9 °C at 760 mmHg
• Flash Point: 54.7 °C
• PSA: 0.00000
• Density: 1.888 g/cm³
• LogP: 2.05030
• Storage Temp.: 2-8°C
• Sensitive.: Light Sensitive
• Solubility.: Difficult to mix.
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 203.92028
• Heavy Atom Count: 5
• Complexity: 16.4

Purity/Quality:

98% ^*data from raw suppliers

1-Chloro-3-iodopropane ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• 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(CCl)CI
• Uses: 1-Chloro-3-iodopropane has been used in the synthesis of N-[4-[5-(2,4-diamino-6-oxo-1,6-dihydropyrimidin-5-yl)-2-(2,2,2-trifluoroacetyl)pentyl]benzoyl]-L-glutamic acid, an inhibitor of glycinamide ribonucleotide transformylase (GAR Tfase) and aminoimidazole carboxamide ribonucleotide transformylase (AICAR Tfase), interesting proton sponge type molecule quino[7,8-h]quinoline.

Technology Process of 1-Chloro-3-iodopropane

There total 10 articles about 1-Chloro-3-iodopropane 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: 95.0%

1.3-chlorobromopropane (109-70-6) → 1-iodo-3-chloro-propane (6940-76-7)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; sodium iodide; In acetone; for 24h; Heating;

DOI:10.1055/s-1993-25988

Reference yield: 50.0%

carbonochloridic acid 1-chloro-ethyl ester (50893-53-3) + 1-chloro-3-hydroxypropane (627-30-5) → 1-iodo-3-chloro-propane (6940-76-7)

Guidance literature:

With sodium iodide; 1.) acetone, 56 deg C, 5 h, 2.) toluene, 105 deg C, 10 h; var.: LiI, KI or MgI₂;

DOI:10.1016/S0040-4039(00)98231-5

Reference yield:

1,3-Dichloropropane (142-28-9) → 1-iodo-3-chloro-propane (6940-76-7) + 1,3-Diiodopropane (627-31-6)

Guidance literature:

With acetone; sodium iodide;

DOI:10.1021/jo50003a010 DOI:10.1039/jr9520005032

upstream raw materials:

ethene

Chloroiodomethane

3-chloro-1-propanol methansulphonate

1,3-Dichloropropane

Downstream raw materials:

4-iodobutyronitrile

1-(phenyl)cyclobutane-1-carboxylic acid

3-chloro-1-nitropropane

3-diethylaminopropyl chloride

Refernces

• 1、 Militzer,Schomenauer,Otte,Puls,Hain,Brase,De Meijere. "Versatile syntheses of alkynyl- and substituted alkynylcyclopropanes: 2-Alkoxyethynylcyclopropanes for the anellation of bicyclo[3.3.0]octane fragments". . p. 998 - 1012. Retrieved 2007/10/02.
• 2、 Danzin,Casara,Claverie,Metcalf. "α-Ethynyl and α-vinyl analogues of ornithine as enzyme-activated inhibitors of mammalian ornithine decarboxylase". . p. 16 - 20. Retrieved 2007/10/02.