Benzene, 1-methoxy-4-(3,3,3-trifluoro-1-propynyl)-

Base Information

• Chemical Name: Benzene, 1-methoxy-4-(3,3,3-trifluoro-1-propynyl)-
• CAS No.: 82203-83-6
• Molecular Formula: C10H7F3O
• Molecular Weight: 200.16
• DSSTox Substance ID: DTXSID30462632
• Nikkaji Number: J857.052C
• Wikidata: Q82287192
• Mol file: 82203-83-6.mol

Synonyms:82203-83-6;Benzene, 1-methoxy-4-(3,3,3-trifluoro-1-propynyl)-;1-METHOXY-4-(TRIFLUOROPROP-1-YN-1-YL)BENZENE;SCHEMBL1566910;DTXSID30462632;1-methoxy-4-trifluoropropynylbenzene;3,3,3-trifluoro-1-(4-methoxyphenyl)propyne;EN300-743710

Chemical Property of Benzene, 1-methoxy-4-(3,3,3-trifluoro-1-propynyl)-

Chemical Property:

• PSA: 9.23000
• LogP: 2.60900
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 200.04489933
• Heavy Atom Count: 14
• Complexity: 237

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Benzene, 1-methoxy-4-(3,3,3-trifluoro-1-propynyl)-

There total 27 articles about Benzene, 1-methoxy-4-(3,3,3-trifluoro-1-propynyl)- 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%

2-bromo-3,3,3-trifluoropropene (1514-82-5) + para-iodoanisole (696-62-8) → 1-(p-methoxyphenyl)-3,3,3-trifluoropropyne (82203-83-6)

Guidance literature:

2-bromo-3,3,3-trifluoropropene; With dichloro(N,N,N’,N‘-tetramethylethylenediamine)zinc; lithium diisopropyl amide; In tetrahydrofuran; hexane; at -78 - 20 ℃; for 1h;

para-iodoanisole; With tetrakis(triphenylphosphine) palladium⁽⁰⁾; In tetrahydrofuran; hexane; for 6h; Heating;

DOI:10.1016/S0040-4020(03)01199-2

Reference yield: 93.0%

1-(2-chloro-3,3,3-trifluoroprop-1-en-1-yl)-4-methoxybenzene (118968-67-5) → 1-(p-methoxyphenyl)-3,3,3-trifluoropropyne (82203-83-6)

Guidance literature:

With potassium hydroxide; In dimethyl sulfoxide; Ambient temperature;

DOI:10.1016/S0022-1139(00)80122-0

Reference yield: 89.0%

trifluoromethylcopper(I) (77152-08-0) + 4-methoxyphenylacetylen (768-60-5) → 1-(p-methoxyphenyl)-3,3,3-trifluoropropyne (82203-83-6)

Guidance literature:

With N,N,N,N,-tetramethylethylenediamine; triethylamine hydrochloride; In N,N-dimethyl-formamide; at 20 ℃; for 1h;

DOI:10.1002/chem.201303828

upstream raw materials:

α-(trifluoroacetyl)-p-methoxybenzylidenetriphenylphosphorane

1-(2-chloro-3,3,3-trifluoroprop-1-en-1-yl)-4-methoxybenzene

2-bromo-3,3,3-trifluoropropene

para-iodoanisole

Downstream raw materials:

3-(2,6-Dichloro-phenyl)-4-(4-methoxy-phenyl)-5-trifluoromethyl-isoxazole

3-(2,6-Dichloro-phenyl)-5-(4-methoxy-phenyl)-4-trifluoromethyl-isoxazole