Anisole, m-(2-nitropropyl)-

Base Information

• Chemical Name: Anisole, m-(2-nitropropyl)-
• CAS No.: 29865-53-0
• Molecular Formula: C10H13NO3
• Molecular Weight: 195.218
• NSC Number: 93687
• DSSTox Substance ID: DTXSID80294041
• Nikkaji Number: J1.591.761J
• Mol file: 29865-53-0.mol

Synonyms:Anisole, m-(2-nitropropyl)-;29865-53-0;NSC 93687;1-methoxy-3-(2-nitropropyl)benzene;NSC93687;DTXSID80294041;1-(3-Methoxyphenyl)-2-nitropropane;NSC-93687;AKOS006278602

Chemical Property of Anisole, m-(2-nitropropyl)-

Chemical Property:

• Vapor Pressure: 0.000509mmHg at 25°C
• Boiling Point: 313°Cat760mmHg
• Flash Point: 138.9°C
• Density: 1.109g/cm³
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 195.08954328
• Heavy Atom Count: 14
• Complexity: 190

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CC1=CC(=CC=C1)OC)[N+](=O)[O-]

Technology Process of Anisole, m-(2-nitropropyl)-

There total 3 articles about Anisole, m-(2-nitropropyl)- 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: 85.0%

1-(m-methoxyphenyl)-2-nitro-1-propene (18738-95-9) → 1-(3'-methoxyphenyl)-2-nitropropane (29865-53-0)

Guidance literature:

With diethyl 2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate; acetic acid; In benzene; at 80 ℃; for 15h;

DOI:10.1246/bcsj.61.3020

Reference yield: 68.0%

(E)-1-methoxy-3-(2-nitroprop-1-en-1-yl)benzene (134062-32-1) → 1-(3'-methoxyphenyl)-2-nitropropane (29865-53-0)

Guidance literature:

With baker's yeast; In ethanol; water; at 35 ℃; for 24h;

DOI:10.1016/S0957-4166(01)00029-5

Reference yield:

3-methoxy-benzaldehyde (591-31-1) → 1-(3'-methoxyphenyl)-2-nitropropane (29865-53-0)

Guidance literature:

Multi-step reaction with 2 steps

1: 49 percent / ammonium acetate / Heating

2: 68 percent / baker's yeast / ethanol; H₂O / 24 h / 35 °C

With ammonium acetate; baker's yeast; In ethanol; water;

DOI:10.1016/S0957-4166(01)00029-5

upstream raw materials:

1-(m-methoxyphenyl)-2-nitro-1-propene

(E)-1-methoxy-3-(2-nitroprop-1-en-1-yl)benzene

3-methoxy-benzaldehyde