Ethyl 3-iodopropanoate

Base Information

• Chemical Name: Ethyl 3-iodopropanoate
• CAS No.: 6414-69-3
• Molecular Formula: C5H9IO2
• Molecular Weight: 228.03
• Hs Code.: 2915900090
• European Community (EC) Number: 817-020-8
• DSSTox Substance ID: DTXSID40448104
• Nikkaji Number: J293.178H
• Wikidata: Q72475569
• Mol file: 6414-69-3.mol

Synonyms:Ethyl 3-iodopropanoate;6414-69-3;Ethyl-3-iodopropionate;ETHYL 3-IODOPROPIONATE;ETHYL-BETA-IODOPROPIONATE;ETHYL BETA-IODOPROPIONATE;Propanoic acid, 3-iodo-, ethyl ester;3-iodo-propionic acid ethyl ester;MFCD00045323;SCHEMBL1403794;DTXSID40448104;AKOS015920040;Propionic acid, 3-iodo-, ethyl ester;CS-W002223;GS-4129;SY031505;Ethyl-3-iodopropionate - stabilized over Cu;FT-0636141;EN300-96922;A867942;J-520884

Chemical Property of Ethyl 3-iodopropanoate

Chemical Property:

• Vapor Pressure: 0.288mmHg at 25°C
• Refractive Index: 1.511
• Boiling Point: 202.727 °C at 760 mmHg
• Flash Point: 76.407 °C
• PSA: 26.30000
• Density: 1.71 g/cm³
• LogP: 1.37460
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 227.96473
• Heavy Atom Count: 8
• Complexity: 72.8

Purity/Quality:

≥99.0% ^*data from raw suppliers

Ethyl-β-iodopropionate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)CCI
• Uses: Ethyl-beta-iodopropionate

Technology Process of Ethyl 3-iodopropanoate

There total 10 articles about Ethyl 3-iodopropanoate 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%

Ethyl 3-bromopropionate (539-74-2) → ethyl 3-iodopropanoate (6414-69-3)

Guidance literature:

With sodium iodide; In butanone; at 90 ℃; for 16h;

DOI:10.1002/jlcr.541

Reference yield: 90.0%

3-iodopropanoic acid (141-76-4) + ethanol (64-17-5) → ethyl 3-iodopropanoate (6414-69-3)

Guidance literature:

With sulfuric acid; In benzene; Heating;

DOI:10.1016/j.tetlet.2005.03.180

Reference yield: 82.0%

ethyl 3-chloropropanoate (623-71-2) → ethyl 3-iodopropanoate (6414-69-3)

Guidance literature:

With sodium iodide; In acetone; at 80 ℃; for 16h;

DOI:10.15227/orgsyn.079.0035

upstream raw materials:

ethyl acrylate

Ethyl 3-bromopropionate

β-Propiolactone

ethanol

Downstream raw materials:

4-oxo-heptane-1,3,5,7-tetracarboxylic acid tetraethyl ester

ethyl acrylate

ethyl 4-(naphthalen-1-yl)-4-oxobutanoate

ethyl 4-(3-nitrophenyl)-4-oxobutanoate

Refernces

• 1、 Yeh, Ming-Chang P.,Chaung, Chong-Nan. "Molybdenum-mediated diastereoselective synthesis of 2-heterobicyclo[4.4.0]decene derivatives". . p. 2167 - 2172. Retrieved 1996.
• 2、 Krumm, Christian,Harmuth, Simon,Hijazi, Montasser,Neugebauer, Britta,Kampmann, Anne-Larissa,Geltenpoth, Helma,Sickmann, Albert,Tiller, Joerg C.. "Antimicrobial poly(2-methyloxazoline)s with bioswitchable activity through satellite group modification". supporting information. p. 3830 - 3834. Retrieved 2014/05/06.
• 3、 Yajima, Tomoko,Yamaguchi, Kanako,Hirokane, Rie,Nogami, Emiko. "Photoinduced radical hydroperfluoroalkylation and the synthesis of fluorinated amino acids and peptides". . p. 1 - 7. Retrieved 2013/06/05.