1-Nitro-2-phenylpropane

Base Information

• Chemical Name: 1-Nitro-2-phenylpropane
• CAS No.: 7796-75-0
• Molecular Formula: C₉H₁₁NO₂
• Molecular Weight: 165.192
• DSSTox Substance ID: DTXSID301306832
• Nikkaji Number: J1.301.099D
• Mol file: 7796-75-0.mol

Synonyms:(1-methyl-2-nitroethyl)benzene;(1-NITROPROPAN-2-YL)BENZENE;1-nitro-2-phenylpropane;7796-75-0;SCHEMBL1985442;PMVHHMCQCDZQCK-UHFFFAOYSA-N;DTXSID301306832;EN300-1862875

Chemical Property of 1-Nitro-2-phenylpropane

Chemical Property:

• Boiling Point: 135-140 °C(Press: 20 Torr)
• PSA: 45.82000
• Density: 1.084±0.06 g/cm3(Predicted)
• LogP: 2.59000
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 165.078978594
• Heavy Atom Count: 12
• Complexity: 147

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 1-Nitro-2-phenylpropane

There total 43 articles about 1-Nitro-2-phenylpropane 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%

(E)-1-nitro-2-phenyl-1-propene (5670-65-5,15795-70-7,15241-24-4) → (+)-(R)-1-nitro-2-phenylpropane (7796-75-0,109757-73-5)

Guidance literature:

With chloro(1,5-cyclooctadiene)rhodium(I) dimer; C₄₅H₃₆F₆FeN₂P₂S; hydrogen; In isopropyl alcohol; at 35 ℃; for 24h; under 3800.26 Torr; Solvent; Pressure; Reagent/catalyst; Temperature; Concentration; enantioselective reaction; Autoclave; Inert atmosphere;

DOI:10.1021/ol401816y

Reference yield: 91.0%

1-nitro-2-phenylpropene (5670-65-5,15241-24-4,15795-70-7) → 1-nitro-2-phenylpropane (109757-73-5,7796-75-0)

Guidance literature:

With sodium tetrahydroborate; In tetrahydrofuran; methanol; at 0 ℃; for 0.333333h; Inert atmosphere;

DOI:10.1039/c8cc03191f

Reference yield: 90.0%

1-nitro-2-phenylpropene (5670-65-5,15241-24-4,15795-70-7) → (+)-(R)-1-nitro-2-phenylpropane (7796-75-0,109757-73-5)

Guidance literature:

With formic acid; {Cp*Ir[(R,R)-Tf-DPEN](H₂O)}(SO₄); water; at 20 ℃; for 24h; pH=2; optical yield given as %ee; enantioselective reaction; Inert atmosphere;

DOI:10.1021/ol901332e

upstream raw materials:

nitrostyrene

methyllithium

1-nitro-2-phenylpropene

methyl magnesium iodide

Downstream raw materials:

N-(3-phenylprop-1-en-2-yl)-O-(trimethylsilyl)-N-((trimethylsilyl)oxy)hydroxylamine

2-phenylpropylamine

2-Phenylpropanal

(2S)-2-phenyl-1-propanamine