1-(4-Nitrophenyl)pyrrolidin-3-ol

Base Information

• Chemical Name: 1-(4-Nitrophenyl)pyrrolidin-3-ol
• CAS No.: 361346-55-6
• Molecular Formula: C10H12N2O3
• Molecular Weight: 208.217
• DSSTox Substance ID: DTXSID80476906
• Mol file: 361346-55-6.mol

Synonyms:1-(4-nitrophenyl)pyrrolidin-3-ol;361346-55-6;N-(4-nitrophenyl)-3-hydroxypyrrolidine;SCHEMBL2126184;DTXSID80476906;KWMXJSMRNOVCDS-UHFFFAOYSA-N;1-(4-Nitrophenyl)pyrroidin-3-ol;1-(4-nitrophenyl)-3-pyrrolidinol;MFCD11037806;AKOS012214824;BS-32340;CS-0208654;EN300-296247

Chemical Property of 1-(4-Nitrophenyl)pyrrolidin-3-ol

Chemical Property:

• PSA: 69.29000
• LogP: 1.75400
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 208.08479225
• Heavy Atom Count: 15
• Complexity: 233

Purity/Quality:

99% ^*data from raw suppliers

1-(4-Nitrophenyl)pyrrolidin-3-ol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CC1O)C2=CC=C(C=C2)[N+](=O)[O-]

Technology Process of 1-(4-Nitrophenyl)pyrrolidin-3-ol

There total 3 articles about 1-(4-Nitrophenyl)pyrrolidin-3-ol 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: 97.0%

racemic 3-pyrrolidinol + 4-Fluoronitrobenzene (350-46-9,178603-76-4) → 1-(4-nitrophenyl)pyrrolidin-3-ol (361346-55-6)

Guidance literature:

With sodium bicarbonate; P₂O₅; In 1,4-dioxane;

Reference yield: 97.0%

pyrrolidin-3-ol (40499-83-0) + 4-Fluoronitrobenzene (350-46-9,178603-76-4) → 1-(4-nitrophenyl)pyrrolidin-3-ol (361346-55-6)

Guidance literature:

With sodium hydrogencarbonate; In 1,4-dioxane; water; at 87 ℃; for 10h; Heating / reflux;

Reference yield: 16.0%

1,4-dibromo-2-butanol (19398-47-1,1360729-08-3) + 4-nitro-aniline (100-01-6,104810-17-5) → 1-(4-nitrophenyl)pyrrolidin-3-ol (361346-55-6)

Guidance literature:

With triethyl phosphate; potassium carbonate; at 150 ℃; for 6h;

DOI:10.1016/S0968-0896(02)00238-9

upstream raw materials:

1,4-dibromo-2-butanol

4-nitro-aniline

pyrrolidin-3-ol

4-Fluoronitrobenzene

Downstream raw materials:

4-(3-hydroxypyrrolidin-1-yl)aniline

1-(4-nitrophenyl)pyrrolidin-3-yl methanesulphonate

N-(4-nitrophenyl)-3-(3-trimethylsilanylpropoxy)pyrrolidine

2-[1-(4-nitro-phenyl)-pyrrolidin-3-ylidene]-malononitrile

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