Bis(2-nitrophenyl)methane

Base Information

• Chemical Name: Bis(2-nitrophenyl)methane
• CAS No.: 21540-57-8
• Molecular Formula: C13H10N2O4
• Molecular Weight: 258.233
• DSSTox Substance ID: DTXSID60557565
• Nikkaji Number: J1.516.697E
• Wikidata: Q82439512
• Mol file: 21540-57-8.mol

Synonyms:Bis(2-nitrophenyl)methane;1-nitro-2-[(2-nitrophenyl)methyl]benzene;21540-57-8;Benzene, 1,1'-methylenebis[2-nitro-;2,2'-dinitrodiphenylmethane;SCHEMBL301933;DTXSID60557565;NABSHCGXYOFMDL-UHFFFAOYSA-N;1,1'-Methylenebis(2-nitrobenzene);MFCD29052049;AKOS025146398;NS-03960

Chemical Property of Bis(2-nitrophenyl)methane

Chemical Property:

• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 258.06405680
• Heavy Atom Count: 19
• Complexity: 305

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)CC2=CC=CC=C2[N+](=O)[O-])[N+](=O)[O-]

Technology Process of Bis(2-nitrophenyl)methane

There total 7 articles about Bis(2-nitrophenyl)methane 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:

methyl 2,2-bis(2-nitrophenyl)acetate → 1-nitro-2-[(2-nitrophenyl)methyl]benzene (21540-57-8)

Guidance literature:

With base; In ethanol; water;

DOI:10.1080/00304940509354984

Reference yield:

methyl (2-nitrophenyl)acetate (30095-98-8) → 1-nitro-2-[(2-nitrophenyl)methyl]benzene (21540-57-8)

Guidance literature:

Multi-step reaction with 2 steps

1.1: potassium tert-butoxide; 1,3-dimethyl-3,4,5,6-tetrahydro-2(1H)-pyrimidinone

1.2: 66 percent / Heating

2.1: base / H₂O; ethanol

With 1,3-dimethyl-3,4,5,6-tetrahydro-2(1H)-pyrimidinone; potassium tert-butylate; In ethanol; water;

DOI:10.1080/00304940509354984

Reference yield:

ortho-nitrofluorobenzene (1493-27-2,127723-77-7) → 1-nitro-2-[(2-nitrophenyl)methyl]benzene (21540-57-8)

Guidance literature:

Multi-step reaction with 2 steps

1.1: potassium tert-butoxide; 1,3-dimethyl-3,4,5,6-tetrahydro-2(1H)-pyrimidinone

1.2: 66 percent / Heating

2.1: base / H₂O; ethanol

With 1,3-dimethyl-3,4,5,6-tetrahydro-2(1H)-pyrimidinone; potassium tert-butylate; In ethanol; water;

DOI:10.1080/00304940509354984

upstream raw materials:

2,2'-dinitro-4,4'-diaminodiphenylmethane dihydrogensulfate

methyl (2-nitrophenyl)acetate

ortho-nitrofluorobenzene

4,4'-diamino diphenyl methane

Downstream raw materials:

2,2'-dinitro-benzophenone

2,2'-methylenedianiline

N-Acetyl-N-(2-benzo[c]isothiazol-3-yl-phenyl)-acetamide

3-(2-aminophenyl)-2,1-benzisothiazole