2-Iodopropane-1,3-diol

Base Information

• Chemical Name: 2-Iodopropane-1,3-diol
• CAS No.: 5349-29-1
• Molecular Formula: C3H7IO2
• Molecular Weight: 201.9909
• NSC Number: 1204
• DSSTox Substance ID: DTXSID40277219
• Nikkaji Number: J803.166E
• Wikidata: Q82008220
• Mol file: 5349-29-1.mol

Synonyms:2-iodopropane-1,3-diol;5349-29-1;2-IODO-1,3-PROPANEDIOL;NSC1204;SCHEMBL3417122;DTXSID40277219;NSC 1204;NSC-1204

Chemical Property of 2-Iodopropane-1,3-diol

Chemical Property:

• Vapor Pressure: 6.11E-05mmHg at 25°C
• Refractive Index: 1.608
• Boiling Point: 308.7 °C at 760 mmHg
• Flash Point: 140.5 °C
• Density: 2.189g/cm³
• XLogP3: -0.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 201.94908
• Heavy Atom Count: 6
• Complexity: 28

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(C(CO)I)O

Technology Process of 2-Iodopropane-1,3-diol

There total 5 articles about 2-Iodopropane-1,3-diol 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: 46.0%

2-p-toluenesulfonyloxy-1,3-propanediol (73684-56-7) → 2-iodo-1,3-propanediol (5349-29-1)

Guidance literature:

With sodium iodide; In acetone;

DOI:10.1248/cpb.41.627

Reference yield:

2-chloro-propane-1,3-diol (497-04-1) → 2-iodo-1,3-propanediol (5349-29-1)

Guidance literature:

With acetone; sodium iodide; at 100 ℃;

DOI:10.1021/ja01330a041

Reference yield:

→ 2-iodo-1,3-propanediol (5349-29-1)

Guidance literature:

With palladium on activated charcoal; ethyl acetate; at 40 ℃; Hydrogenation_.beim Behandlung des Reaktionsprodukts mit Natriumjodid in Aceton bei 90grad;

upstream raw materials:

2-chloro-propane-1,3-diol

Methyltriphenoxyphosphonium iodide

2-phenyl-[1,3]dioxan-5-ol

5-Iod-2-phenyl-1,3-dioxan

Downstream raw materials:

Di-(2,6-dimethyl-4-nitrobenzoyl)-glycerin-β-iodhydrin

Bis-(4-nitro-benzoyl)-glycerin-β-jodhydrin

3,4-dihydroxybutyric acid

Refernces