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

Base Information

• Chemical Name: 3-(4-Nitrophenyl)propan-1-ol
• CAS No.: 20716-25-0
• Molecular Formula: C9H11NO3
• Molecular Weight: 181.191
• Hs Code.: 2906299090
• ChEMBL ID: CHEMBL1774698
• DSSTox Substance ID: DTXSID10540361
• Nikkaji Number: J2.765.793A
• Wikidata: Q82416356
• Mol file: 20716-25-0.mol

Synonyms:3-(4-Nitrophenyl)propan-1-ol;20716-25-0;Benzenepropanol, 4-nitro-;3-(4-NITRO-PHENYL)-PROPAN-1-OL;3-(4-nitrophenyl)propanol;SCHEMBL378397;1-(p-nitrophenyl)-3-propanol;CHEMBL1774698;DTXSID10540361;VSMANSLTTPNSMB-UHFFFAOYSA-N;AKOS005217810;CS-0432652;C78036;EN300-1846002

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

Chemical Property:

• Melting Point: 59-60 °C
• Boiling Point: 343.4±17.0 °C(Predicted)
• PKA: 14.95±0.10(Predicted)
• PSA: 66.05000
• Density: 1.223±0.06 g/cm3(Predicted)
• LogP: 2.04290
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 181.07389321
• Heavy Atom Count: 13
• Complexity: 159

Purity/Quality:

97% ^*data from raw suppliers

3-(4-NITRO-PHENYL)-PROPAN-1-OL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1CCCO)[N+](=O)[O-]

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

There total 15 articles about 3-(4-Nitrophenyl)propan-1-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: 95.0%

3-(4-nitrophenyl)propionic acid (16642-79-8) → 3-(4-nitrophenyl)-1-propanol (20716-25-0)

Guidance literature:

With diborane; In tetrahydrofuran; at 20 ℃; for 2h; Inert atmosphere;

DOI:10.1021/jm101182s

Reference yield: 95.0%

3-Phenyl-1-propanol (122-97-4) + acetyl chloride (75-36-5) → 3-(4-nitrophenyl)-1-propanol (20716-25-0)

Guidance literature:

With sodium hydrogencarbonate; sodium carbonate; In methanol hydrogen chloride; chloroform; water;

Reference yield: 90.0%

3-(4-nitrophenyl)prop-2-yn-1-ol (61266-32-8) → 3-(4-nitrophenyl)-1-propanol (20716-25-0)

Guidance literature:

3-(4-nitrophenyl)prop-2-yn-1-ol; With potassium tert-butylate; copper(II) acetate monohydrate; 1,3-bis[2,6-diisopropylphenyl]imidazolium chloride; tert-butyl alcohol; In toluene; at 25 ℃; for 25h; Inert atmosphere;

With tetrabutyl ammonium fluoride; In tetrahydrofuran; toluene; at 0 ℃;

DOI:10.1016/j.tet.2014.01.053

upstream raw materials:

3-(4-nitrophenyl)propionic acid

ethanol

1-iodo-3-(4-nitrophenyl)propane

1-bromo-3-(4-nitrophenyl)propane

Downstream raw materials:

3-(4'-nitrophenyl)propyl methanesulfonate

3-(4-aminophenyl)propan-1-ol

4-(3-fluoropropyl)aniline

1-(3-fluoropropyl)-4-nitrobenzene