4-Allyloxy-3-trifluoromethoxybenzoic acid

Base Information

Chemical Name:4-Allyloxy-3-trifluoromethoxybenzoic acid
CAS No.:647855-31-0
Molecular Formula:C11H9F3O4
Molecular Weight:262.185
Hs Code.:
DSSTox Substance ID:DTXSID00451396
Wikidata:Q82271402

Synonyms:4-allyloxy-3-trifluoromethoxybenzoic acid;647855-31-0;SCHEMBL3544608;DTXSID00451396;LTYSCBAXEVLWJZ-UHFFFAOYSA-N

Suppliers and Price of 4-Allyloxy-3-trifluoromethoxybenzoic acid

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of 4-Allyloxy-3-trifluoromethoxybenzoic acid

Chemical Property:

XLogP3:3.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:5
Exact Mass:262.04529325
Heavy Atom Count:18
Complexity:303

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C=CCOC1=C(C=C(C=C1)C(=O)O)OC(F)(F)F

Technology Process of 4-Allyloxy-3-trifluoromethoxybenzoic acid

There total 4 articles about 4-Allyloxy-3-trifluoromethoxybenzoic acid 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: 67.0%

: 647855-31-0
4-allyloxy-3-trifluoromethoxybenzoic acid

Guidance literature:

Reference yield:

: 1-allyloxy-4-bromo-2-trifluoromethoxy-benzene

: 124-38-9,18923-20-1
carbon dioxide

: 647855-31-0
4-allyloxy-3-trifluoromethoxybenzoic acid

Guidance literature:: 1-allyloxy-4-bromo-2-trifluoromethoxy-benzene; With tert.-butyl lithium; In tetrahydrofuran; pentane; at -78 ℃; for 0.25h;

carbon dioxide; In tetrahydrofuran; pentane; at -78 - -10 ℃; Further stages.;
DOI:10.1021/jm010579r

Reference yield:

: 32858-93-8
2-(trifluoromethoxy)phenol

: 647855-31-0
4-allyloxy-3-trifluoromethoxybenzoic acid

Guidance literature:: Multi-step reaction with 3 steps

1.1: 93 percent / Br₂ / CH₂Cl₂ / 48 h / 20 °C

2.1: K₂CO₃ / acetone / 12 h / 20 °C

3.1: t-butyllithium / tetrahydrofuran; pentane / 0.25 h / -78 °C

3.2: tetrahydrofuran; pentane / -78 - -10 °C

With bromine; tert.-butyl lithium; potassium carbonate; In tetrahydrofuran; dichloromethane; acetone; pentane;
DOI:10.1021/jm010579r