4-Methoxy-3-nitrobiphenyl

Base Information

• Chemical Name: 4-Methoxy-3-nitrobiphenyl
• CAS No.: 15854-73-6
• Molecular Formula: C13H11 N O3
• Molecular Weight: 229.235
• Hs Code.: 2909309090
• European Community (EC) Number: 605-152-7
• DSSTox Substance ID: DTXSID90346808
• Nikkaji Number: J1.387.541C
• Wikidata: Q82120094
• Mol file: 15854-73-6.mol

Synonyms:4-Methoxy-3-nitrobiphenyl;15854-73-6;1-methoxy-2-nitro-4-phenylbenzene;4-Methoxy-3-nitro-1,1'-biphenyl;2-Nitro-4-phenylanisole;EC 605-152-7;3-nitro-4-methoxybiphenyl;SCHEMBL7562427;HVYOIIIEAVPMCR-UHFFFAOYSA-;DTXSID90346808;MFCD00191554;STK373328;AKOS003267425;1,1'-Biphenyl, 4-methoxy-3-nitro-;4-Methoxy-3-nitro-1,1'-biphenyl #;BS-43901;CS-0168100;FT-0676576;M1166;D91453

Chemical Property of 4-Methoxy-3-nitrobiphenyl

Chemical Property:

• Vapor Pressure: 9.64E-06mmHg at 25°C
• Melting Point: 90-91°C
• Refractive Index: 1.587
• Boiling Point: 383.5°C at 760 mmHg
• Flash Point: 174.2°C
• PSA: 55.05000
• Density: 1.202g/cm³
• LogP: 3.79360
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 3.5
• 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:

99.9% ^*data from raw suppliers

4-Methoxy-3-nitrobiphenyl ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-Methoxy-3-nitrobiphenyl

There total 16 articles about 4-Methoxy-3-nitrobiphenyl 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: 97.1%

bromobenzene (108-86-1,52753-63-6) + 4-bromo-1-methoxy-2-nitrobenzene (33696-00-3) → 3-nitro-4-methoxybiphenyl (15854-73-6)

Guidance literature:

In tetrahydrofuran; at 145 ℃; for 30h; under 8360.56 Torr; Temperature; Pressure; Inert atmosphere;

Reference yield: 91.0%

4-methoxy-3-nitrobenzene diazonium tetrafluoroborate + phenylboronic acid (98-80-6) → 3-nitro-4-methoxybiphenyl (15854-73-6)

Guidance literature:

With 5% Pd/BaCO3; In methanol; at 25 ℃; for 12h;

DOI:10.1002/adsc.200800025

Reference yield: 89.0%

4-bromo-1-methoxy-2-nitrobenzene (33696-00-3) + phenylboronic acid (98-80-6) → 3-nitro-4-methoxybiphenyl (15854-73-6)

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; potassium carbonate; In water; N,N-dimethyl-formamide; at 100 ℃; for 9h; Inert atmosphere;

upstream raw materials:

4-methoxylbiphenyl

4-phenyl-2-nitrophenol

dimethyl sulfate

benzene

Downstream raw materials:

5-phenyl-O-anisidine

bifenazate

Refernces

• 1、 Takale, Balaram S.,Thakore, Ruchita R.,Casotti, Gianluca,Li, Xaiohan,Gallou, Fabrice,Lipshutz, Bruce H.. "Mild and Robust Stille Reactions in Water using Parts Per Million Levels of a Triphenylphosphine-Based Palladacycle". supporting information. p. 4158 - 4163. Retrieved 2021/02/01.
• 2、 -. "Compounding method for acaricide bifenazate intermediate 3-nitro-4-methoxyphenyl". Paragraph 0028-0049. . Retrieved 2019/02/10.