1,1'-Biphenyl, 4'-methoxy-2-(trifluoromethyl)-

Base Information

• Chemical Name: 1,1'-Biphenyl, 4'-methoxy-2-(trifluoromethyl)-
• CAS No.: 122801-59-6
• Molecular Formula: C14H11F3O
• Molecular Weight: 252.236
• DSSTox Substance ID: DTXSID70460233
• Nikkaji Number: J1.854.258G
• Wikidata: Q82284221
• Mol file: 122801-59-6.mol

Synonyms:1,1'-Biphenyl, 4'-methoxy-2-(trifluoromethyl)-;122801-59-6;SCHEMBL5803017;DTXSID70460233;XOPKZGICZXMGBC-UHFFFAOYSA-N

Chemical Property of 1,1'-Biphenyl, 4'-methoxy-2-(trifluoromethyl)-

Chemical Property:

• XLogP3: 4.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 252.07619946
• Heavy Atom Count: 18
• Complexity: 256

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)C2=CC=CC=C2C(F)(F)F

Technology Process of 1,1'-Biphenyl, 4'-methoxy-2-(trifluoromethyl)-

There total 2 articles about 1,1'-Biphenyl, 4'-methoxy-2-(trifluoromethyl)- 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: 19.0%

1-bromo-4-methoxy-benzene (104-92-7) + 1-chloro-2-(trifluoromethyl)benzene (88-16-4) → 4,4'-Dimethoxybiphenyl (2132-80-1) + 2,2′-bis(trifluoromethyl)-1,1′-biphenyl (567-15-7) + 4'-methoxy-2-(trifluoromethyl)-1,1'-biphenyl (122801-59-6)

Guidance literature:

With NaH-t-AmONa-Ni(OAc)2-bpy-KI; In tetrahydrofuran; benzene; at 63 ℃; for 2.5h; Yields of byproduct given;

DOI:10.1021/jo00281a028

Reference yield:

para-iodoanisole (696-62-8) + α,α,α-trifluorotoluene (98-08-8) → 4-(3-trifluoromethylphenyl)anisole (194873-98-8) + 4'-methoxy-2-(trifluoromethyl)-1,1'-biphenyl (122801-59-6) + 4-tert-butyl-4'-methoxylbiphenyl

Guidance literature:

With 1,10-Phenanthroline; potassium tert-butylate; at 120 ℃; for 48h; Inert atmosphere; Sealed tube;

DOI:10.1038/nchem.862

Reference yield: 95.0%

2,4,6-triphenylpyridine (580-35-8) + 4'-methoxy-2-(trifluoromethyl)-1,1'-biphenyl (122801-59-6) + trimethylsilyl bis(trifluoromethanesulfonyl)imide (82113-66-4) → C37H28F2NO(1+)*C2F6NO4S2(1-)

Guidance literature:

With tris(pentafluorophenyl)borate; In 1,2-dichloro-ethane; at 20 ℃; for 48h;

upstream raw materials:

1-bromo-4-methoxy-benzene

1-chloro-2-(trifluoromethyl)benzene

para-iodoanisole

α,α,α-trifluorotoluene

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