4-methoxy-2-[(E)-2-nitroethenyl]phenol

Base Information

• Chemical Name: 4-methoxy-2-[(E)-2-nitroethenyl]phenol
• CAS No.: 35467-98-2
• Molecular Formula: C9H9NO4
• Molecular Weight: 195.175
• Hs Code.: 2909500000
• NSC Number: 404885
• Nikkaji Number: J1.894.612B
• Mol file: 35467-98-2.mol

Synonyms:4-methoxy-2-[(E)-2-nitroethenyl]phenol;35467-98-2;2-HYDROXY-5-METHOXY-BETA-NITROSTYRENE;4-methoxy-2-(2-nitroethenyl)phenol;NSC404885;ANM100838;NSC-404885;2-[(E)-2-Nitroethenyl]-4-methoxyphenol;EN300-1829521;588690-28-2

Chemical Property of 4-methoxy-2-[(E)-2-nitroethenyl]phenol

Chemical Property:

• Vapor Pressure: 3.24E-06mmHg at 25°C
• Melting Point: 153-153.5 °C(Solv: benzene (71-43-2))
• Boiling Point: 376.9°Cat760mmHg
• PKA: 8.44±0.43(Predicted)
• Flash Point: 181.7°C
• PSA: 75.28000
• Density: 1.308g/cm³
• LogP: 2.17140
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 195.05315777
• Heavy Atom Count: 14
• Complexity: 223

Purity/Quality:

98% ^*data from raw suppliers

2-HYDROXY-5-METHOXY-BETA-NITROSTYRENE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=C(C=C1)O)C=C[N+](=O)[O-]
• Isomeric SMILES: COC1=CC(=C(C=C1)O)/C=C/[N+](=O)[O-]

Technology Process of 4-methoxy-2-[(E)-2-nitroethenyl]phenol

There total 3 articles about 4-methoxy-2-[(E)-2-nitroethenyl]phenol 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: 89.0%

2-hydroxy-5-methoxybenzaldehyde (672-13-9) + nitromethane (75-52-5) → (E)-4-methoxy-2-(2-nitrovinyl)phenol (35467-98-2)

Guidance literature:

With ammonium acetate; for 12h; Reflux; Inert atmosphere;

DOI:10.1021/acs.joc.7b02178

Reference yield: 81.0%

2-hydroxy-5-methoxybenzaldehyde (672-13-9) + nitromethane (75-52-5) → 2-(2-nitrovinyl)-4-methoxyphenol (35467-98-2)

Guidance literature:

With ammonium acetate; acetic acid; at 90 ℃; for 12h;

DOI:10.1016/j.bmc.2020.115565

Reference yield:

→ 2-(2-nitrovinyl)-4-methoxyphenol (35467-98-2)

Guidance literature:

2-Hydroxy-5-methoxybenzaldehyd, Nitromethan;

upstream raw materials:

2-hydroxy-5-methoxybenzaldehyde

nitromethane

Downstream raw materials:

(R)-6-methoxy-4-(nitromethyl)-2-phenyl-4H-chromene-3-carbaldehyde

methoxy-5 nitro-2 benzofuranne

4-Methoxy-2-(2-nitro-ethyl)-phenol

(R)-6-methoxy-4-nitromethyl-2-p-tolyl-4H-chromene-3-carbaldehyde

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