1-Chloro-4-iodobutane

Base Information

• Chemical Name: 1-Chloro-4-iodobutane
• CAS No.: 10297-05-9
• Molecular Formula: C4H8ClI
• Molecular Weight: 218.465
• Hs Code.: 29031980
• European Community (EC) Number: 233-669-4
• UNII: 977ZE83TAE
• DSSTox Substance ID: DTXSID9065029
• Nikkaji Number: J236.752A
• Wikidata: Q81991927
• Mol file: 10297-05-9.mol

Synonyms:1-Chloro-4-iodobutane;10297-05-9;Butane, 1-chloro-4-iodo-;Tetramethylene chloroiodide;4-chlorobutyl iodide;1-Iodo-4-chlorobutane;C4H8ClI;4-chloro-1-iodobutane;EINECS 233-669-4;MFCD00039415;4-Iodobutyl Chloride;1-chloro4-iodobutane;4-iodo-1-chlorobutane;1-Chloro-4-iodo-butane;C4-H8-Cl-I;SCHEMBL874852;977ZE83TAE;1-Chloro-4-iodobutane over Cu;1-Chloro-4-iodobutane, 98%;DTXSID9065029;AMY2538;CHEBI:189107;AKOS005256982;CS-W019348;RS-1012;SY049669;C2713;FT-0607630;EN300-7400494;J-000852;J-802030

Chemical Property of 1-Chloro-4-iodobutane

Chemical Property:

• Appearance/Colour: clear yellow to brown liquid
• Vapor Pressure: 0.643mmHg at 25°C
• Melting Point: 93 °C
• Refractive Index: n20/D 1.54(lit.)
• Boiling Point: 193.6 °C at 760 mmHg
• Flash Point: 70.9 °C
• PSA: 0.00000
• Density: 1.75 g/cm³
• LogP: 2.44040
• Storage Temp.: 2-8°C(protect from light)
• Sensitive.: Light Sensitive
• Solubility.: Chloroform, Ethyl Acetate
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 3
• Exact Mass: 217.93593
• Heavy Atom Count: 6
• Complexity: 23.5

Purity/Quality:

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

1-Chloro-4-iodobutane ^*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:

• Canonical SMILES: C(CCI)CCl
• Uses: 1-Chloro-4-iodobutane acts as a reagent in the synthesis of alkyl chromones/quinolones via cyclization/alkylation of enaminones and as an intermediate in many pharmaceutical synthesis. 1-Chloro-4-iodobutane may be used in the following studies:Preparation of 6-hendecenoic acid. Catalytic asymmetric synthesis of levobupivacaine.Synthesis of alkaloids such as deoxyvasicinone, mackinazolinone.

Technology Process of 1-Chloro-4-iodobutane

There total 9 articles about 1-Chloro-4-iodobutane 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%

2-(4-iodobutoxy)tetrahydropyran (41049-30-3) → 1-chloro 4-iodobutane (10297-05-9)

Guidance literature:

With dichloromethylenedimethyliminium chloride; In dichloromethane; at 0 ℃;

DOI:10.1016/S0040-4039(97)00677-1

Reference yield: 75.0%

1,4-dichlorobutane (110-56-5) → 1,4-Diiodobutane (628-21-7) + 1-chloro 4-iodobutane (10297-05-9)

Guidance literature:

With 1-iodo-butane; tetra-(n-butyl)ammonium iodide; at 105 - 141 ℃; for 6h; Yields of byproduct given;

DOI:10.1021/jo00241a045

Reference yield: 60.0%

1,4-dichlorobutane (110-56-5) → 1-chloro 4-iodobutane (10297-05-9)

Guidance literature:

With sodium iodide; In acetone; Inert atmosphere;

DOI:10.1021/ol8029017

upstream raw materials:

4-chlorobutyl methanesulfonate

4-chlorobutyl 4-methylbenzenesulfonate

1,4-dichlorobutane

4-Chloro-1-butanol

Downstream raw materials:

1-chloro-5-decyne

1-chloro-4-propoxybutane

trimethyl(6-iodo-1-hexynyl)silane

(6-chlorohex-1-yn-1-yl)trimethylsilane

Refernces

• 1、 Francisco, Cosme G.,Freire, Raimundo,Hernandez, Rosendo,Salazar, Jose A.,Suarez, Ernesto,et al.. "Long-acting contraceptive agents: Norethisterone esters of monoalkenyl and monoalkynyl acids". . p. 267 - 275. Retrieved 1983.
• 2、 Ahmad,Strong. "-". . p. 1699. Retrieved 1948.
• 3、 -. "PROCESS FOR THE PREPARATION OF N-IODOAMIDES". Paragraph 00291-00292. . Retrieved 2015/05/26.
• 4、 Fitch, Richard W.,Sturgeon, Gordon D.,Patel, Shaun R.,Spande, Thomas F.,Garraffo, H. Martin,Daly, John W.,Blaauw, Richard H.. "Epiquinamide: A Poison That Wasn't from a Frog That Was". supporting information; experimental part. p. 243 - 247. Retrieved 2009/06/19.