Propyl iodoacetate

Base Information

• Chemical Name: Propyl iodoacetate
• CAS No.: 83004-93-7
• Molecular Formula: C5H9IO2
• DSSTox Substance ID: DTXSID90423926
• Nikkaji Number: J191.427H
• Mol file: 83004-93-7.mol

Synonyms:Propyl iodoacetate;Iodoacetic acid propyl ester;83004-93-7;SCHEMBL5613210;DTXSID90423926;DBIKFZUGIPPYDJ-UHFFFAOYSA-N

Chemical Property of Propyl iodoacetate

Chemical Property:

• Vapor Pressure: 0.328mmHg at 25°C
• XLogP3: 1.7
• 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:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCOC(=O)CI

Technology Process of Propyl iodoacetate

There total 2 articles about Propyl iodoacetate 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:

n-propyl chloracetate (5396-24-7) → iodo-acetic acid propyl ester (83004-93-7)

Guidance literature:

With sodium iodide; In acetone; for 3h;

Reference yield:

propan-1-ol (71-23-8) + Iodoacetic acid (64-69-7) → iodo-acetic acid propyl ester (83004-93-7)

Guidance literature:

With sulfuric acid; benzene;

Reference yield:

iodo-acetic acid propyl ester (83004-93-7) → (Propyloxycarbonylmethylene)triphenylphosphorane (105286-25-7,56169-52-9)

Guidance literature:

Multi-step reaction with 2 steps

1: toluene / 14 h

2: Et₃N / tetrahydrofuran / 0.5 h / Ambient temperature

With triethylamine; In tetrahydrofuran; toluene;

upstream raw materials:

propan-1-ol

Iodoacetic acid

n-propyl chloracetate

Downstream raw materials:

Nitrooxyessigsaeurepropylester

(Propyloxycarbonylmethylene)triphenylphosphorane

<(4-methylphenylsulfinyl)(propoxycarbonyl)methylene>triphenylphosphorane

Refernces