Benzenepropanol, a-(nitromethyl)-

Base Information

• Chemical Name: Benzenepropanol, a-(nitromethyl)-
• CAS No.: 85290-51-3
• Molecular Formula: C₁₀H₁₃NO₃
• Molecular Weight: 195.218
• Mol file: 85290-51-3.mol

Synonyms:(S)-1-nitro-4-phenyl-2-butanol;(S)-(-)-1-nitro-4-phenylbutan-2-ol;(S)-2-Hydroxy-1-nitro-4-phenylbutane;(S)-1-nitro-4-phenyl-2-nitrobutanol;(S)-1-nitro-4-phenylbutan-2-ol;(S)-(-)-1-nitro-4-phenylbutanol;

Chemical Property of Benzenepropanol, a-(nitromethyl)-

Chemical Property:

• Boiling Point: 359.2±35.0 °C(Predicted)
• PSA: 66.05000
• Density: 1.176±0.06 g/cm3(Predicted)
• LogP: 1.78000

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of Benzenepropanol, a-(nitromethyl)-

There total 22 articles about Benzenepropanol, a-(nitromethyl)- 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%

3-phenyl-propionaldehyde (104-53-0) + nitromethane (75-52-5) → 1-nitro-4-phenylbutan-2-ol (141377-53-9,141434-97-1,149494-99-5,85290-51-3)

Guidance literature:

(anthracenebisresorcinol^(4-):2La⁽³⁺⁾)polymer; In benzene; at 20 ℃; for 0.333333h;

DOI:10.1246/cl.1999.797

Reference yield: 99.0%

3-phenyl-propionaldehyde (104-53-0) + nitromethane (75-52-5) → (S)-1-nitro-4-phenyl-2-butanol (85290-51-3,141377-53-9,141434-97-1,149494-99-5)

Guidance literature:

chiral binaphthyl diamine-Cu(OAc)2 complex; In propan-1-ol; at 20 ℃; for 48h;

DOI:10.1021/ol7014362

Reference yield: 99.0%

3-phenyl-propionaldehyde (104-53-0) + nitromethane (75-52-5) → (R)-1-nitro-4-phenylbutan-2-ol (85290-51-3,141377-53-9,149494-99-5,141434-97-1)

Guidance literature:

With 4-methyl-N-[(1R)-2-{[(1S,2S)-2-{[(2R)-2-(4-methylbenzenesulfonamido)-2-phenylethyl]amino}-1,2-diphenylethy]amino}-1-phenylethyl]benzene-1-sulfonamido; copper(II) acetate monohydrate; In ethanol; at 20 ℃; for 24h; optical yield given as %ee; enantioselective reaction; Inert atmosphere;

DOI:10.1002/chem.201000964

upstream raw materials:

3-phenyl-propionaldehyde

nitromethane

4-Phenylbut-1-ene

bromonitromethane

Downstream raw materials:

(S)-1-nitro-4-phenyl-2-butanol

(R)-1-nitro-4-phenylbutan-2-ol

(E)-(4-nitrobut-3-enyl)benzene

triethyl(1-nitro-4-phenylbutan-2-yloxy)silane