3-Iodo-1,2-propanediol

Base Information

• Chemical Name: 3-Iodo-1,2-propanediol
• CAS No.: 554-10-9
• Deprecated CAS: 35387-65-6
• Molecular Formula: C3H7 I O2
• Molecular Weight: 201.992
• Hs Code.: 2905590090
• European Community (EC) Number: 209-059-9
• UNII: 4AX0Q4B27P
• DSSTox Substance ID: DTXSID4025450
• Nikkaji Number: J1.355B
• Wikidata: Q27259359
• Mol file: 554-10-9.mol

Synonyms:alpha-iodohydrin;glyceryl iodide

Chemical Property of 3-Iodo-1,2-propanediol

Chemical Property:

• Vapor Pressure: 7.24E-05mmHg at 25°C
• Melting Point: 49-50℃ (chloroform ligroine )
• Boiling Point: 306.3°Cat760mmHg
• PKA: 13.28±0.20(Predicted)
• Flash Point: 139.1°C
• PSA: 40.46000
• Density: 2.189g/cm³
• LogP: -0.22540
• XLogP3: 0
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 201.94908
• Heavy Atom Count: 6
• Complexity: 32

Purity/Quality:

99%, ^*data from raw suppliers

Glyceryl iodide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(C(CI)O)O
• Uses: Pharmaceutical compositions containing 3-Iodo-1,2-propanediol are effective in increasing the output of thin respiratory tract fluid and liquefying tenacious mucus in the bronchial tree.

Technology Process of 3-Iodo-1,2-propanediol

There total 7 articles about 3-Iodo-1,2-propanediol 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: 65.0%

oxiranyl-methanol (556-52-5) → 3-iodo-propane-1,2-diol (554-10-9)

Guidance literature:

With hydrogen iodide; at 20 ℃;

DOI:10.1039/b008316j

Reference yield: 63.0%

4-iodomethyl-2,2-dimethyl-[1,3]dioxolane (23737-52-2,4351-11-5) → 3-iodo-propane-1,2-diol (554-10-9)

Guidance literature:

With hydrogenchloride; In water; acetone; for 4h; Heating;

DOI:10.1039/c8ra02409j

Reference yield:

3-monochloro-1,2-propanediol (96-24-2) → 3-iodo-propane-1,2-diol (554-10-9)

Guidance literature:

With nitromethane; sodium iodide;

DOI:10.1021/ja01552a055

upstream raw materials:

oxiranyl-methanol

3-monochloro-1,2-propanediol

4-iodomethyl-2,2-dimethyl-[1,3]dioxolane

5-chloromethyl-2,2-dimethyl-1,3-dioxolane

Downstream raw materials:

rac-1,2-dipalmitoyl-3-iodo-3-deoxyglycerol

oxiranyl-methanol

2-iodo-propane

2,3-dihydroxypropyl 4-(hexadecylamino)benzoate

Refernces

• 1、 Kay,Woolhouse,Gainsford,Haskell,Barnes,McKinnie,Wyss. "A simple, novel method for the preparation of polymer-tetherable, zwitterionic merocyanine NLO-chromophores". . p. 996 - 1002. Retrieved 2007/10/03.
• 2、 Tatee,Carlson,Katzenellenbogen,Robertson,Katzenellenbogen. "Antiestrogens and antiestrogen metabolites: Preparation of tritium-labeled (±)-cis-3-[p-(1,2,3,4-tetrahydro-6-methoxy-2-phenyl-1-naphthyl)phenoxy]-1,2-propanediol (U-23469) and characterization and synthesis of a biologically important metabolite". . p. 1509 - 1517. Retrieved 2007/10/13.