Ethyl 4-iodobutyrate

Base Information

• Chemical Name: Ethyl 4-iodobutyrate
• CAS No.: 7425-53-8
• Molecular Formula: C6H11IO2
• Molecular Weight: 242.057
• Hs Code.: 2915900090
• UNII: F9CLY29W6W
• DSSTox Substance ID: DTXSID70447322
• Nikkaji Number: J552.524A
• Wikidata: Q82266181
• Mol file: 7425-53-8.mol

Synonyms:ethyl 4-iodobutanoate;ETHYL 4-IODOBUTYRATE;7425-53-8;Butanoic acid, 4-iodo-, ethyl ester;Ethyl gamma-iodobutyrate;4-Iodo-butyric acid ethyl ester;MFCD00045325;4-IODOBUTYRIC ACID ETHYL ESTER;F9CLY29W6W;4-Iodobutanoic acid ethyl ester;Butyric acid, 4-iodo-, ethyl ester;Ethyl 4-iodobutanoate;Ethyl 4-iodobutyrate;ethyl -iodobutyrate;ethyl4-iodobutanoate;ethyl-4-iodobutyrate;Ethyl |A-iodobutyrate;ethyl 4-iodo-butyrate;UNII-F9CLY29W6W;SCHEMBL64616;DTXSID70447322;RLZFVPPGVAHZPE-UHFFFAOYSA-N;AKOS015843406;DS-3832;SY014641;Ethyl 4-iodobutanoate - stabilized over Cu;CS-0029516;FT-0651421;A847338

Chemical Property of Ethyl 4-iodobutyrate

Chemical Property:

• Vapor Pressure: 0.118mmHg at 25°C
• Boiling Point: 219.6oC at 760 mmHg
• Flash Point: 86.6oC
• PSA: 26.30000
• Density: 1.614g/cm3
• LogP: 1.76470
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 241.98038
• Heavy Atom Count: 9
• Complexity: 83.1

Purity/Quality:

96% ^*data from raw suppliers

Ethyl4-Iodobutanoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)CCCI

Technology Process of Ethyl 4-iodobutyrate

There total 3 articles about Ethyl 4-iodobutyrate 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: 32.0%

2-ethoxybutyrolactonium tetrafluoroborate → 4-butanolide (96-48-0) + ethyl 4-iodobutyrate (7425-53-8)

Guidance literature:

With sodium iodide; In dichloromethane; acetonitrile;

Reference yield:

2-ethoxybutyrolactonium tetrafluoroborate + acetonitrile (75-05-8,26809-02-9) → ethyl 4-iodobutyrate (7425-53-8) + ethyl iodide (75-03-6)

Guidance literature:

Reference yield:

ethyl cyclopropylcarboxylate (4606-07-9) → 4-iodobutanoic acid (7425-27-6) + ethyl 4-iodobutyrate (7425-53-8)

Guidance literature:

With trimethylsilyl iodide; for 96h;

DOI:10.1016/S0040-4039(01)92374-3

upstream raw materials:

ethyl cyclopropylcarboxylate

acetonitrile

Downstream raw materials:

4,4'-((S)-1-methyl-2-phenyl-ethylimino)-di-butyric acid diethyl ester

1-((S)-1-methyl-2-phenyl-ethyl)-pyrrolidin-2-one

ethyl (E)-5-(4-chlorophenyl)pent-4-enoate

6-oxo-undecanedioic acid

Refernces

• 1、 Beaulieu, Normand,Deslongchamps, Pierre. "SN2 iodide displacement on unsymmetrical cyclic dioxenium salts. A stereoelectronically controlled reaction". . p. 164 - 167. Retrieved 2007/10/02.