4-Methoxy-2-nitro-biphenyl

Base Information

• Chemical Name: 4-Methoxy-2-nitro-biphenyl
• CAS No.: 16098-16-1
• Molecular Formula: C13H11 N O3
• Molecular Weight: 229.235
• Hs Code.: 2909309090
• DSSTox Substance ID: DTXSID80464762
• Nikkaji Number: J1.938.594I
• Wikidata: Q82290237
• Mol file: 16098-16-1.mol

Synonyms:4-METHOXY-2-NITRO-BIPHENYL;16098-16-1;4-methoxy-2-nitro-1-phenylbenzene;1,1'-Biphenyl, 4-methoxy-2-nitro-;4-methoxy-2-nitrobiphenyl;SCHEMBL99419;DTXSID80464762;NJWRQRNSXPDHMJ-UHFFFAOYSA-N;4-Methoxy-2-nitro-1,1'-biphenyl;AKOS015966999;AKOS022181814

Chemical Property of 4-Methoxy-2-nitro-biphenyl

Chemical Property:

• Melting Point: 75-77 °C
• Boiling Point: 120-135 °C(Press: 0.05 Torr)
• PSA: 55.05000
• Density: 1.202±0.06 g/cm3(Predicted)
• LogP: 3.79360
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 229.07389321
• Heavy Atom Count: 17
• Complexity: 258

Purity/Quality:

99% ^*data from raw suppliers

4-METHOXY-2-NITRO-BIPHENYL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=C(C=C1)C2=CC=CC=C2)[N+](=O)[O-]

Technology Process of 4-Methoxy-2-nitro-biphenyl

There total 13 articles about 4-Methoxy-2-nitro-biphenyl 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: 99.0%

4-bromo-3-nitroanizole (5344-78-5) + phenylboronic acid (98-80-6) → 4-methoxy-2-nitro-1,1'-biphenyl (16098-16-1)

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; potassium carbonate; In water; toluene; for 18h; Heating;

DOI:10.1021/jo0503299

Reference yield: 82.0%

Trifluoromethanesulfonic acid 4-methoxy-2-nitrophenyl ester (213596-32-8) + phenylboronic acid (98-80-6) → 4-methoxy-2-nitro-1,1'-biphenyl (16098-16-1)

Guidance literature:

With potassium phosphate; tetrakis(triphenylphosphine) palladium⁽⁰⁾; In 1,2-dimethoxyethane; at 85 ℃; for 10h;

DOI:10.3987/com-98-8197

Reference yield: 80.0%

trimethyl(phenyl)stannane (934-56-5) + Trifluoromethanesulfonic acid 4-methoxy-2-nitrophenyl ester (213596-32-8) → 4-methoxy-2-nitro-1,1'-biphenyl (16098-16-1)

Guidance literature:

With tris(dibenzylideneacetone)dipalladium⁽⁰⁾ chloroform complex; tris-(o-tolyl)phosphine; lithium chloride; In 1,4-dioxane; at 85 ℃; for 12h;

DOI:10.3987/com-98-8197

upstream raw materials:

4-methoxy-2-nitroacetanilide

benzene

trimethyl(phenyl)stannane

Trifluoromethanesulfonic acid 4-methoxy-2-nitrophenyl ester

Downstream raw materials:

4-methoxy-[1,1'-biphenyl]-2-amine

N-<2-(4-methoxybiphenylyl)>benzamide

2-methoxy-9H-carbazole

4-hydroxy-2-nitrobiphenyl