Benzene, 1-(1-butoxyethenyl)-4-nitro-

Base Information

• Chemical Name: Benzene, 1-(1-butoxyethenyl)-4-nitro-
• CAS No.: 109125-23-7
• Molecular Formula: C12H15NO3
• Molecular Weight: 221.256
• DSSTox Substance ID: DTXSID90439269
• Nikkaji Number: J323.752D
• Wikidata: Q82255183
• Mol file: 109125-23-7.mol

Synonyms:Benzene, 1-(1-butoxyethenyl)-4-nitro-;109125-23-7;1-(1-BUTOXYETHENYL)-4-NITROBENZENE;SCHEMBL8029452;DTXSID90439269

Chemical Property of Benzene, 1-(1-butoxyethenyl)-4-nitro-

Chemical Property:

• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 221.10519334
• Heavy Atom Count: 16
• Complexity: 239

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Benzene, 1-(1-butoxyethenyl)-4-nitro-

There total 13 articles about Benzene, 1-(1-butoxyethenyl)-4-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: 61.0%

-butyl vinyl ether (111-34-2,92680-80-3) + 4-chlorobenzonitrile (100-00-5) → 1-((E)-2-Butoxy-vinyl)-4-nitro-benzene (890704-15-1) + 1-(1-butoxyethenyl)-4-nitrobenzene (109125-23-7)

Guidance literature:

With N-Methyldicyclohexylamine; tri tert-butylphosphoniumtetrafluoroborate; trans-di(μ-acetato)bis[o-(di-o-tolylphosphino)benzyl]dipalladium(II); In water; N,N-dimethyl-formamide; at 160 ℃; for 1h; microwave irradiation;

DOI:10.1021/jo0602367

Reference yield: 43.0%

-butyl vinyl ether (111-34-2,92680-80-3) + 4-nitro-benzoyl chloride (122-04-3) → (E)-3-Butoxy-1-(4-nitro-phenyl)-propenone (114657-09-9) + 4-Nitro-benzoic acid 1-butoxy-2-(4-nitro-phenyl)-ethyl ester (115270-40-1,115270-41-2) + 1-((E)-2-Butoxy-vinyl)-4-nitro-benzene (890704-15-1) + 1-(1-butoxyethenyl)-4-nitrobenzene (109125-23-7)

Guidance literature:

With palladium diacetate; triethylamine; In dichloromethane; at 65 ℃; for 15h;

DOI:10.1021/jo00253a018

Reference yield:

-butyl vinyl ether (111-34-2,92680-80-3) + para-nitrophenyl triflate (17763-80-3) → 4-nitro-phenol (100-02-7,78813-13-5,89830-32-0) + 4,4'-dinitrobiphenyl (1528-74-1) + bis(4-nitrophenyl)ether (101-63-3) + (Z)-1-(2-butoxyethenyl)-4-nitrobenzene (97826-85-2) + (E)-1-(2-butoxyethenyl)-4-nitrobenzene (97826-86-3) + 1-(1-butoxyethenyl)-4-nitrobenzene (109125-23-7)

Guidance literature:

With triethylamine; palladium diacetate; In N,N-dimethyl-formamide; at 95 ℃; for 18h; Product distribution; effect of lithium halides and tetrabutyl ammonium halides on cis/trans ratio, and ratio of α- and β-substitution products; var. solvents; other triflates;

DOI:10.1021/jo00244a052

upstream raw materials:

p-nitrobenzene iodide

-butyl vinyl ether

para-nitrophenyl triflate

1-phenyl-1,4-hexadien-3-ol

Downstream raw materials:

(4-nitrophenyl)ethanone