4-(4-Nitrophenyl)butan-1-ol

Base Information

• Chemical Name: 4-(4-Nitrophenyl)butan-1-ol
• CAS No.: 79524-20-2
• Molecular Formula: C10H13NO3
• Molecular Weight: 195.218
• European Community (EC) Number: 279-175-2
• DSSTox Substance ID: DTXSID601000562
• Nikkaji Number: J150.119D
• Wikidata: Q82994228
• Mol file: 79524-20-2.mol

Synonyms:4-(4-Nitrophenyl)-1-butanol;79524-20-2;4-(4-Nitrophenyl)butan-1-ol;4-Nitro-benzenebutanol;EINECS 279-175-2;Benzenebutanol, 4-nitro-;4-(4-nitrophenyl)butanol;4-(4-nitrophenyl) butanol;SCHEMBL358325;4-(4-nitrophenyl)butane-1-ol;4-(4-nitro-phenyl)-butan-1-ol;4-(4-Nitrophenyl)-1-butanol #;DTXSID601000562;1-(4-hydroxybutyl)-4-nitrobenzene;AKOS015916601;4-(4-Nitrophenyl)-1-butanol, 95%;CS-0366366;FT-0641723;F79754

Chemical Property of 4-(4-Nitrophenyl)butan-1-ol

Chemical Property:

• Vapor Pressure: 1.09E-05mmHg at 25°C
• Refractive Index: n20/D 1.557(lit.)
• Boiling Point: 356.2 °C at 760 mmHg
• Flash Point: 154.7 °C
• PSA: 66.05000
• Density: 1.185 g/cm³
• LogP: 2.43300
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 195.08954328
• Heavy Atom Count: 14
• Complexity: 171

Purity/Quality:

98%,99%, ^*data from raw suppliers

4-(4-Nitrophenyl)-1-butanol 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1CCCCO)[N+](=O)[O-]
• Uses: 4-(4-Nitrophenyl)-1-butanol was used in chemoenzymatic synthesis of bacterial O-antigen from Salmonella serogroup E1, 3-O-(4-O-β-D-mannopyranosyl-α-L-rhamnopyranosyl)-α-D-galactose.

Technology Process of 4-(4-Nitrophenyl)butan-1-ol

There total 3 articles about 4-(4-Nitrophenyl)butan-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: 98.0%

4-(4-nitrophenyl)butanoic acid (5600-62-4) → 4-(4-nitrophenyl)-1-butanol (79524-20-2)

Guidance literature:

With dimethylsulfide borane complex; In tetrahydrofuran; for 1h;

DOI:10.1021/jm0101904

Reference yield: 94.0%

→ 4-(4-nitrophenyl)-1-butanol (79524-20-2)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; at 0 - 20 ℃;

Reference yield: 32.0%

1-Piperidino-5-(4-nitrophenoxy)pentane → 4-(4-nitrophenyl)-1-butanol (79524-20-2) + 1-Piperidino-5-(4-hydroxyphenoxy)pentane

Guidance literature:

With sodium hydroxide; In water; acetonitrile; for 0.133333h; Ambient temperature; Irradiation;

DOI:10.1021/jo00117a037

upstream raw materials:

4-(4-nitrophenyl)butanoic acid

Downstream raw materials:

1-(4-bromobutyl)-4-nitrobenzene

Acetic acid (2R,3S,4R,5R,6R)-5-hydroxy-6-[4-(4-nitro-phenyl)-butoxy]-4-((2S,3R,4R,5S,6S)-3,4,5-triacetoxy-6-methyl-tetrahydro-pyran-2-yloxy)-2-triisopropylsilanyloxymethyl-tetrahydro-pyran-3-yl ester

4-(4-nitrophenyl)butyraldehyde

N-{4-[4-(10H-Phenothiazin-2-yloxy)butyl]phenyl}-2-thiophenecarboximidamide Hydroiodide