2-Propenenitrile, 3-(4-hydroxy-3-methoxyphenyl)-2-nitro-

Base Information

• Chemical Name: 2-Propenenitrile, 3-(4-hydroxy-3-methoxyphenyl)-2-nitro-
• CAS No.: 58046-27-8
• Molecular Formula: C₁₀H₈N₂O₄
• Molecular Weight: 220.185
• NSC Number: 172851
• Nikkaji Number: J75.285A

Synonyms:BRN 3142542;4-Hydroxy-3-methoxy-alpha-nitrocinnamonitrile;CINNAMONITRILE, 4-HYDROXY-3-METHOXY-alpha-NITRO-;beta-(4-Hydroxy-3-methoxyphenyl)-alpha-nitroacrylonitrile;2-Propenenitrile, 3-(4-hydroxy-3-methoxyphenyl)-2-nitro-;4-10-00-01789 (Beilstein Handbook Reference);58046-27-8;NSC172851;AKOS024366007;NSC 172851;NSC-172851;LS-54228;3-(4-Hydroxy-3-methoxyphenyl)-2-nitropropenenitrile

Chemical Property of 2-Propenenitrile, 3-(4-hydroxy-3-methoxyphenyl)-2-nitro-

Chemical Property:

• Vapor Pressure: 1.88E-06mmHg at 25°C
• Boiling Point: 384.2°C at 760 mmHg
• Flash Point: 186.2°C
• Density: 1.386g/cm³
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 220.04840674
• Heavy Atom Count: 16
• Complexity: 339

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Propenenitrile, 3-(4-hydroxy-3-methoxyphenyl)-2-nitro-

There total 2 articles about 2-Propenenitrile, 3-(4-hydroxy-3-methoxyphenyl)-2-nitro- 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:

nitroacetonitrile (13218-13-8) + vanillin (121-33-5,8014-42-4) → 4-hydroxy-3-methoxy-α-nitro-cis-cinnamonitrile (58046-27-8)

Guidance literature:

With ethanol; methylamine hydrochloride; sodium carbonate;

Reference yield:

→ (E)-3-(4-Hydroxy-3-methoxy-phenyl)-2-nitro-acrylonitrile (58046-27-8)

Guidance literature:

aus 4-Hydroxy-3-methoxy-benzaldehyd, Nitroacetonitril;

Reference yield: 59.0%

dimedone (126-81-8) + (Z)-3-(4-Hydroxy-3-methoxy-phenyl)-2-nitro-acrylonitrile (58046-27-8) → 3-Nitro-2-amino-4-(3-methoxy-4-hydroxyphenyl)-7,7-dimethyl-4H,6H,8H-chromen-5-one (95642-43-6)

Guidance literature:

In ethanol; Ambient temperature;

upstream raw materials:

nitroacetonitrile

vanillin

Downstream raw materials:

3-Nitro-2-amino-4-(3-methoxy-4-hydroxyphenyl)-7,7-dimethyl-4H,6H,8H-chromen-5-one

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