Ethyl 5-iodopentanoate

Base Information

• Chemical Name: Ethyl 5-iodopentanoate
• CAS No.: 41302-32-3
• Molecular Formula: C7H13 I O2
• Molecular Weight: 256.084
• Hs Code.: 2915900090
• DSSTox Substance ID: DTXSID80400221
• Nikkaji Number: J1.081.223B
• Wikidata: Q82203084
• Mol file: 41302-32-3.mol

Synonyms:Ethyl 5-iodopentanoate;41302-32-3;ETHYL 5-IODOVALERATE;ethyl-5 iodovalerate;SCHEMBL2436955;5-Iodopentanoic acid ethyl ester;DTXSID80400221;RUVQSRJJSDAXER-UHFFFAOYSA-N;MFCD00028830;AKOS017343322;Ethyl 5-iodopentanoate stabilized over Cu;FT-0761819;F72378

Chemical Property of Ethyl 5-iodopentanoate

Chemical Property:

• Vapor Pressure: 0.103mmHg at 25°C
• Refractive Index: 1.503
• Boiling Point: 222.1°C at 760 mmHg
• Flash Point: 88.1°C
• PSA: 26.30000
• Density: 1.539g/cm³
• LogP: 2.15480
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 255.99603
• Heavy Atom Count: 10
• Complexity: 93.6

Purity/Quality:

97% ^*data from raw suppliers

ETHYL 5-IODOVALERATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCOC(=O)CCCCI
• Uses: Ethyl-5-iodovalerate is a reagent in the synthesis of 8-Amino-7-oxopelargonic Acid Hydrochloride (A618750) which is an intermediate in the synthesis of biotin. Pimeloyl-CoA is transformed into AOP in the presence of L-alanine by the enzyme AOP synthase. The catalytic mechanism of AOP synthase has been studied for the elucidation of inhibitors as potential antimicrobial agents.

Technology Process of Ethyl 5-iodopentanoate

There total 9 articles about Ethyl 5-iodopentanoate 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: 100.0%

ethyl 5-bromovalerate (14660-52-7) → ethyl 5-iodopentanoate (41302-32-3)

Guidance literature:

With sodium iodide; In acetone; for 14h; Reflux; Inert atmosphere;

DOI:10.1002/anie.201403537

Reference yield: 18.0%

ethyl valerolactonium tetrafluoroborate → 3,4,5,6-tetrahydro-2H-pyran-2-one (542-28-9,26354-94-9) + ethyl 5-iodopentanoate (41302-32-3)

Guidance literature:

With sodium iodide; In dichloromethane; acetonitrile;

Reference yield:

ethanol (64-17-5) → ethyl 5-iodopentanoate (41302-32-3)

Guidance literature:

With hydrogenchloride;

upstream raw materials:

ethanol

5-iodopentanoic acid

ethyl 5-bromovalerate

ethyl 5-chloropentanoate

Downstream raw materials:

7-oxooctadecanoic acid

5-Fluor-valeriansaeure-ethylester

2-phenyl-heptanedioic acid

triethyl 2-phenyl-2-carboxy-1,7-heptanedioate

Refernces

• 1、 Chow, Chun P.,Shea, Kenneth J.. "Dual function catalysts. Dehydrogenation and asymmetric intramolecular Diels-Alder cycloaddition of N-hydroxy formate esters and hydroxamic acids: Evidence for a ruthenium-acylnitroso intermediate". . p. 3678 - 3679. Retrieved 2005.
• 2、 Takahashi, Yusuke,Seki, Masahiko. "Finkelstein Reaction in Non-polar Organic Solvents: A Streamlined Synthesis of Organic Iodides". . p. 1974 - 1978. Retrieved 2021/08/24.
• 3、 Aitken, R. Alan,Boubalouta, Youcef,Chang, Da,Cleghorn, Lee P.,Gray, Ian P.,Karodia, Nazira,Reid, Euan J.,Slawin, Alexandra M.Z.. "The value of 2JP–CO as a diagnostic parameter for the structure and thermal reactivity of carbonyl-stabilised phosphonium ylides". . p. 6275 - 6285. Retrieved 2017/09/29.