2-Bromo-2-nitro-1-phenylethanol

Base Information

• Chemical Name: 2-Bromo-2-nitro-1-phenylethanol
• CAS No.: 63765-74-2
• Molecular Formula: C8H8 Br N O3
• Molecular Weight: 246.06
• DSSTox Substance ID: DTXSID60980293
• Nikkaji Number: J60.197G
• Mol file: 63765-74-2.mol

Synonyms:2-bromo-2-nitro-1-phenylethanol;63765-74-2;USAF CS-1301;2-Bromo-2-nitro-1-phenyl-1-ethanol;Ethanol, 2-bromo-2-nitro-1-phenyl-;SCHEMBL10866061;DTXSID60980293;2-Bromo-2-nitro-1-phenylethan-1-ol

Chemical Property of 2-Bromo-2-nitro-1-phenylethanol

Chemical Property:

• Vapor Pressure: 8.9E-05mmHg at 25°C
• Boiling Point: 326.2°C at 760 mmHg
• Flash Point: 151.1°C
• PSA: 66.05000
• Density: 1.675g/cm³
• LogP: 2.24090
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 244.96876
• Heavy Atom Count: 13
• Complexity: 177

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 2-Bromo-2-nitro-1-phenylethanol

There total 4 articles about 2-Bromo-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: 99.0%

bromonitromethane (563-70-2) + benzaldehyde (100-52-7) → β-bromo-β-nitro-α-phenylethanol (63765-74-2)

Guidance literature:

With potassium hydroxide; at 0 ℃; for 0.166667h;

DOI:10.1246/cl.1999.1105

Reference yield:

bromonitromethane (563-70-2) + benzaldehyde (100-52-7) → erythro-1-phenyl-2-bromo-2-nitroethanol (63765-74-2,96089-38-2,96089-39-3) + threo-1-phenyl-2-bromo-2-nitroethanol (63765-74-2,96089-38-2,96089-39-3)

Guidance literature:

With potassium carbonate; In acetone; at 23 - 25 ℃; for 1h; Title compound not separated from byproducts;

Reference yield:

bromonitromethane (563-70-2) + benzaldehyde (100-52-7) → erythro-1-phenyl-2-bromo-2-nitroethanol (63765-74-2,96089-38-2,96089-39-3) + threo-1-phenyl-2-bromo-2-nitroethanol (63765-74-2,96089-38-2,96089-39-3)

Guidance literature:

With potassium carbonate; In acetone; at 23 - 25 ℃; for 1h; Title compound not separated from byproducts;

upstream raw materials:

bromonitromethane

benzaldehyde

Downstream raw materials:

(S)-1-phenyl-2-nitroethanol

(R)-2-nitro-1-phenylethanol

2-nitro-1-phenylethan-1-ol

N-(1,1-dimethylethyl)-2-hydroxy-benzeneacetamide