1,1'-(2,3-Dimethylbutane-2,3-diyl)bis(4-nitrobenzene)

Base Information

• Chemical Name: 1,1'-(2,3-Dimethylbutane-2,3-diyl)bis(4-nitrobenzene)
• CAS No.: 30034-76-5
• Molecular Formula: C18H20 N2 O4
• Molecular Weight: 328.368
• NSC Number: 87330
• DSSTox Substance ID: DTXSID30293125
• Wikidata: Q82031742
• Mol file: 30034-76-5.mol

Synonyms:30034-76-5;1,1'-(2,3-dimethylbutane-2,3-diyl)bis(4-nitrobenzene);NSC87330;NCIOpen2_009384;SCHEMBL1538287;DTXSID30293125;NSC-87330

Chemical Property of 1,1'-(2,3-Dimethylbutane-2,3-diyl)bis(4-nitrobenzene)

Chemical Property:

• XLogP3: 5.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 328.14230712
• Heavy Atom Count: 24
• Complexity: 418

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C1=CC=C(C=C1)[N+](=O)[O-])C(C)(C)C2=CC=C(C=C2)[N+](=O)[O-]

Technology Process of 1,1'-(2,3-Dimethylbutane-2,3-diyl)bis(4-nitrobenzene)

There total 11 articles about 1,1'-(2,3-Dimethylbutane-2,3-diyl)bis(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: 12.0%

2-nitro-2-(4-nitrophenyl)propane (3276-35-5) + 1-methyl-4-phenylsulfonylmethyl-5-nitro-1H-imidazole (116248-38-5) → p,p'-dinitrobicumyl (30034-76-5) + 4-[1-benzenesulfonyl-2-methyl-2-(4-nitrophenyl)-propyl]-1-methyl-5-nitro-1H-imidazole

Guidance literature:

1-methyl-4-phenylsulfonylmethyl-5-nitro-1H-imidazole; With sodium hydride; In dimethyl sulfoxide; at 20 ℃;

2-nitro-2-(4-nitrophenyl)propane; With para-dinitrobenzene; In dimethyl sulfoxide; at 20 ℃; for 24h; Irradiation;

DOI:10.1016/S0040-4039(02)00767-0

Reference yield: 4.0%

2-nitro-2-(4-nitrophenyl)propane (3276-35-5) + sodium salt of diethyl butylmalonate (22600-93-7) → p,p'-dinitrobicumyl (30034-76-5) + n-butyl(p-nitrocumyl)malonic acid diethyl ester (14851-06-0)

Guidance literature:

In dimethyl sulfoxide; for 42h; Ambient temperature;

DOI:10.1021/jo00378a008

Reference yield: 4.0%

4-nitrocumyl chloride (14500-58-4) + sodium salt of diethyl butylmalonate (22600-93-7) → p,p'-dinitrobicumyl (30034-76-5) + n-butyl(p-nitrocumyl)malonic acid diethyl ester (14851-06-0)

Guidance literature:

In dimethyl sulfoxide; for 2.5h; Ambient temperature;

DOI:10.1021/jo00378a008

upstream raw materials:

dicumene

2-nitro-2-(4-nitrophenyl)propane

sodium 2-mercaptobenzothiazole

sodium 2-mercaptothiazolinate