1-(But-3-en-1-yl)-4-nitrobenzene

Base Information

• Chemical Name: 1-(But-3-en-1-yl)-4-nitrobenzene
• CAS No.: 105535-09-9
• Molecular Formula: C10H11NO2
• Molecular Weight: 177.203
• DSSTox Substance ID: DTXSID90597196
• Nikkaji Number: J1.618.380F
• Wikidata: Q82492697
• Mol file: 105535-09-9.mol

Synonyms:105535-09-9;1-(But-3-en-1-yl)-4-nitrobenzene;SCHEMBL8956380;1-(3-butenyl)-4-nitrobenzene;DTXSID90597196;ZMXJCIHAZMWEAB-UHFFFAOYSA-N

Chemical Property of 1-(But-3-en-1-yl)-4-nitrobenzene

Chemical Property:

• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 177.078978594
• Heavy Atom Count: 13
• Complexity: 178

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=CCCC1=CC=C(C=C1)[N+](=O)[O-]

Technology Process of 1-(But-3-en-1-yl)-4-nitrobenzene

There total 12 articles about 1-(But-3-en-1-yl)-4-nitrobenzene 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: 81.0%

4-Phenylbut-1-ene (768-56-9) → 1-(but-3-en-1-yl)-4-nitrobenzene (105535-09-9)

Guidance literature:

With copper(II) nitrate; trifluoroacetic anhydride; at 0 - 20 ℃; for 2.5h;

DOI:10.1021/ja9738992

Reference yield: 61.0%

2-allyl-2-(4-nitro-phenyl)-malonic acid dimethyl ester (404597-63-3) → 1-(but-3-en-1-yl)-4-nitrobenzene (105535-09-9)

Guidance literature:

With sodium chloride; In water; dimethyl sulfoxide; at 155 ℃;

DOI:10.1016/S0040-4039(01)01809-3

Reference yield: 59.0%

allyltributylstanane (24850-33-7) + 1-bromomethyl-4-nitro-benzene (100-11-8) → 1-(but-3-en-1-yl)-4-nitrobenzene (105535-09-9)

Guidance literature:

With chloro(dimethylsulfide) gold(I); In 1,2-dichloro-ethane; at 50 ℃; for 5h; Inert atmosphere;

DOI:10.1002/anie.201902352

upstream raw materials:

1-bromo-4-butene

nitrobenzene

4-Phenylbut-1-ene

2-bromo-4-(4-nitrophenyl)butane

Downstream raw materials:

4,4'-di-(3-butenyl)azoxybenzene

(3aR,6R,7S,7aS)-6-(((4-(but-3-en-1-yl)phenyl)amino)methyl)-2,2-dimethyltetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6,7-diol

(3aR,5'S,7aR)-3'-(4-(but-3-en-1-yl)phenyl)-2,2-dimethyldihydrospiro[[1,3]dioxolo[4,5-c]pyran-6,5'-oxazolidine]-2',7-(7aH)-dione