1,2-Dimethoxy-4-(2-nitropropenyl)benzene

Base Information

• Chemical Name: 1,2-Dimethoxy-4-(2-nitropropenyl)benzene
• CAS No.: 122-47-4
• Molecular Formula: C11H13 N O4
• Molecular Weight: 223.229
• Hs Code.: 2909309090
• NSC Number: 105317,54548,12113
• Nikkaji Number: J297.776A
• Mol file: 122-47-4.mol

Synonyms:Benzene,2-dimethoxy-4-(2-nitropropenyl)-;Benzene,2-dimethoxy-4-(2-nitro-1-propenyl)-;NSC54548;1,2-Dimethoxy-4-(2-nitropropenyl)benzene;Benzene, 1,2-dimethoxy-4-(2-nitropropenyl)-;Benzene, 1,2-dimethoxy-4-(2-nitro-1-propenyl)-;NSC12113;NSC-12113;NSC-54548;NSC105317;AKOS003627515;NSC-105317;1-(3,4-DIMETHOXYPHENYL)-2-NITRO-1-PROPENE

Chemical Property of 1,2-Dimethoxy-4-(2-nitropropenyl)benzene

Chemical Property:

• Vapor Pressure: 9.58E-05mmHg at 25°C
• Melting Point: 68-71°C
• Boiling Point: 349.3°Cat760mmHg
• Flash Point: 153.6°C
• PSA: 64.28000
• Density: 1.168g/cm³
• LogP: 2.86450
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 223.08445790
• Heavy Atom Count: 16
• Complexity: 272

Purity/Quality:

98%min ^*data from raw suppliers

3,4-Dimethoxy-β-Methyl-β-νitrostyrene ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

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

Technology Process of 1,2-Dimethoxy-4-(2-nitropropenyl)benzene

There total 7 articles about 1,2-Dimethoxy-4-(2-nitropropenyl)benzene 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: 95.0%

Nitroethane (79-24-3) + 3,4-dimethoxy-benzaldehyde (120-14-9) → 1-(3,4-dimethoxyphenyl)-2-nitropropene (122-47-4)

Guidance literature:

With ammonium acetate; at 90 ℃; for 15h;

Reference yield:

→ 1-(3,4-dimethoxyphenyl)-2-nitropropene (122-47-4)

Guidance literature:

With potassium hydroxide;

Reference yield:

tetranitromethane (509-14-8) + Methylisoeugenol (93-16-3) → 1-(3,4-dimethoxyphenyl)-2-nitropropene (122-47-4)

Guidance literature:

With pyridine; acetone; Ueberschichten der Loesung mit Aether und Schuetteln mit Kalilauge;

upstream raw materials:

pyridine

tetranitromethane

acetone

Methylisoeugenol

Downstream raw materials:

1-(3,4-bis-benzyloxy-phenyl)-2-[2-(3,4-dimethoxy-phenyl)-1-methyl-ethylamino]-ethanone

N-[2-(3,4-dimethoxyphenyl)-1-methyl-ethyl]formamide

2-(3,4-dimethoxyphenyl)-3-methyl-8,9-dimethoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-1-carbonitrile

C₁₅H₁₈N₂O₄

Refernces

• 1、 Karmarkar, Sanjay N.,Kelkar, Shriniwas L.,Wadia, Murzban S.. "A Simple Unusual One-Step Conversion of Aromatic Aldehydes into Nitriles". . p. 510 - 512. Retrieved 1985.
• 2、 -. "Novel dihydroquinolizinones for the treatment and prophylaxis of hepatitis B virus infection". Paragraph 1004; 1005. . Retrieved 2015/08/04.
• 3、 Reis, Joana,Oliveira, Catarina,Milhazes, Nuno,Vi?a, Dolores,Borges, Fernanda. "Exploring nitrostyrene as a scaffold for a new class a of monoamine oxidase inhibitors". . p. 958 - 961. Retrieved 2013/02/23.