3-(4-Nitrophenoxy)propane-1,2-diol

Base Information

• Chemical Name: 3-(4-Nitrophenoxy)propane-1,2-diol
• CAS No.: 34211-48-8
• Molecular Formula: C9H11 N O5
• Molecular Weight: 213.19
• Hs Code.: 2909499000
• DSSTox Substance ID: DTXSID40405393
• Nikkaji Number: J431.747E
• Mol file: 34211-48-8.mol

Synonyms:4-nitrophenylglycerol;p-nitrophenylglycerol;para-nitrophenylglycerol

Chemical Property of 3-(4-Nitrophenoxy)propane-1,2-diol

Chemical Property:

• PSA: 95.51000
• LogP: 0.85000
• Storage Temp.: 2-8°C
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 213.06372245
• Heavy Atom Count: 15
• Complexity: 197

Purity/Quality:

99% ^*data from raw suppliers

3-(4-nitrophenoxy)propane-1,2-diol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1[N+](=O)[O-])OCC(CO)O

Technology Process of 3-(4-Nitrophenoxy)propane-1,2-diol

There total 10 articles about 3-(4-Nitrophenoxy)propane-1,2-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: 95.7%

4-nitro-phenol (100-02-7,78813-13-5,89830-32-0) + oxiranyl-methanol (556-52-5) → 1,2-dihydroxy-3-(4-nitrophenyloxy)-propane (34211-48-8)

Guidance literature:

With potassium hydroxide; In toluene; at 90 ℃; for 24h;

Reference yield: 88.0%

4-nitrophenyl 2-oxiranylmethyl ether (125228-75-3) → 1,2-dihydroxy-3-(4-nitrophenyloxy)-propane (34211-48-8)

Guidance literature:

With sulfuric acid; In 1,4-dioxane; at 20 ℃; for 24h;

DOI:10.1039/b705648f

Reference yield: 62.7%

4-nitro-phenol (100-02-7,78813-13-5,89830-32-0) + 3-monochloro-1,2-propanediol (96-24-2) → 1,2-dihydroxy-3-(4-nitrophenyloxy)-propane (34211-48-8)

Guidance literature:

With propan-1-ol; sodium; for 24h; Reflux; Inert atmosphere;

upstream raw materials:

4-nitro-phenol

3-monochloro-1,2-propanediol

oxiranyl-methanol

4-nitrophenyl 2-oxiranylmethyl ether

Downstream raw materials:

3-(4-aminophenoxy)propane-1,2-diol

2-(4-nitrophenoxy)acetaldehyde

1-allyloxy-4-nitrobenzene

4-nitrophenyl 2-oxiranylmethyl ether

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