2-Nitro-1-phenylethanol

Base Information

• Chemical Name: 2-Nitro-1-phenylethanol
• CAS No.: 15990-45-1
• Molecular Formula: C₈H₉NO₃
• Molecular Weight: 167.164
• Hs Code.: 2906299090
• NSC Number: 23616,17692
• DSSTox Substance ID: DTXSID00280623
• Nikkaji Number: J597.872F
• Mol file: 15990-45-1.mol

Synonyms:2-nitro-1-phenylethanol;2-Nitro-1-phenyl-1-ethanol;15990-45-1;1-Phenyl-2-nitroethanol;2-nitro-1-phenylethan-1-ol;2-Nitro-1-phenyl-ethanol;NSC17692;Oprea1_850872;SCHEMBL1348353;DTXSID00280623;NSC23616;MFCD00854219;NSC 17692;NSC 23616;NSC-17692;NSC-23616;STK678201;AKOS005071749;AS-0219;BB 0257172;CS-0324257;FT-0680820

Chemical Property of 2-Nitro-1-phenylethanol

Chemical Property:

• Vapor Pressure: 0.000164mmHg at 25°C
• Boiling Point: 317.2°Cat760mmHg
• Flash Point: 142.5°C
• PSA: 66.05000
• Density: 1.254g/cm³
• LogP: 1.51990
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 167.058243149
• Heavy Atom Count: 12
• Complexity: 149

Purity/Quality:

98%min ^*data from raw suppliers

alpha-(Nitromethyl)benzyl alcohol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Nitro-1-phenylethanol

There total 36 articles about 2-Nitro-1-phenylethanol 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: 100.0%

nitromethane (75-52-5) + benzaldehyde (100-52-7) → 2-nitro-1-phenylethan-1-ol (141377-54-0,145920-96-3,149495-00-1,15990-45-1)

Guidance literature:

palladium/alumina; at 60 ℃; for 1h;

Reference yield: 98.0%

C13H17NO4 (1616844-71-3) → 2-nitro-1-phenylethan-1-ol (141377-54-0,145920-96-3,149495-00-1,15990-45-1)

Guidance literature:

With chloral hydrate; In hexane; at 0 - 5 ℃; for 1.5h; Inert atmosphere;

DOI:10.1080/00397911.2013.876652

Reference yield: 96.0%

nitromethane (75-52-5) + benzaldehyde (100-52-7) + acetonitrile (75-05-8,26809-02-9) → 2-nitro-1-phenylethan-1-ol (141377-54-0,145920-96-3,149495-00-1,15990-45-1)

Guidance literature:

With 1,4-diaza-bicyclo[2.2.2]octane; at 0 ℃; for 24h; Concentration; Reagent/catalyst; Time; Temperature;

upstream raw materials:

nitromethane

benzaldehyde

ethanol

benzil

Downstream raw materials:

(2-nitroethenyl)benzene

2-hydroxyamino-1-phenyl-ethanol; oxalate

2-Amino-1-phenylethanol

2-nitroacetophenone