Acetic acid, [3-[2-(3,4-diphenyl-1H-pyrazol-1-yl)ethyl]phenoxy]-

Base Information

Chemical Name:Acetic acid, [3-[2-(3,4-diphenyl-1H-pyrazol-1-yl)ethyl]phenoxy]-
CAS No.:131362-18-0
Molecular Formula:C25H22N2O3
Molecular Weight:398.461
Hs Code.:
DSSTox Substance ID:DTXSID70433987
Nikkaji Number:J513.436F
Wikidata:Q82248276
ChEMBL ID:CHEMBL117498

Synonyms:131362-18-0;2-(3-(2-(3,4-Diphenyl-1H-pyrazol-1-yl)ethyl)phenoxy)acetic acid;Acetic acid, [3-[2-(3,4-diphenyl-1H-pyrazol-1-yl)ethyl]phenoxy]-;CHEMBL117498;SCHEMBL9842862;DTXSID70433987;[3-[2-[3,4-Diphenyl-1H-pyrazol-1-yl]ethyl]phenoxy]acetic acid

Suppliers and Price of Acetic acid, [3-[2-(3,4-diphenyl-1H-pyrazol-1-yl)ethyl]phenoxy]-

Supply Marketing:

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

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 2 raw suppliers

Chemical Property of Acetic acid, [3-[2-(3,4-diphenyl-1H-pyrazol-1-yl)ethyl]phenoxy]-

Chemical Property:

XLogP3:5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:8
Exact Mass:398.16304257
Heavy Atom Count:30
Complexity:531

Purity/Quality:: 99.90% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C=C1)C2=CN(N=C2C3=CC=CC=C3)CCC4=CC(=CC=C4)OCC(=O)O

Technology Process of Acetic acid, [3-[2-(3,4-diphenyl-1H-pyrazol-1-yl)ethyl]phenoxy]-

There total 5 articles about Acetic acid, [3-[2-(3,4-diphenyl-1H-pyrazol-1-yl)ethyl]phenoxy]- 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: 77.0%

: 131362-16-8
methyl <3-<2-(3,4-diphenyl-1H-pyrazol-1-yl)ethyl>phenoxy>acetate

: 131362-18-0
BMY 43676

Guidance literature:: With lithium hydroxide; water; In methanol; for 0.5h; Heating;
DOI:10.1021/jm00097a007

Reference yield:

: 42058-59-3
3-hydroxy-benzeneacetic acid, methyl ester

: 131362-18-0
BMY 43676

Guidance literature:: Multi-step reaction with 5 steps

1: 42 percent / LiAlH₄ / diethyl ether / 21 h

2: 44 percent / K₂CO₃, KI / dimethylformamide / 22 h / 130 °C

3: 40 percent / DMAP, pyridine / 17 h / 0 °C

4: 1.) NaH / 1.) DMF, 110 deg C, 2.) DMF, RT, 15 h

5: 77 percent / LiOH*H₂O, H₂O / methanol / 0.5 h / Heating

With pyridine; dmap; lithium hydroxide; lithium aluminium tetrahydride; water; sodium hydride; potassium carbonate; potassium iodide; In methanol; diethyl ether; N,N-dimethyl-formamide;
DOI:10.1021/jm00097a007

Reference yield:

: 13398-94-2
2-(3-hydroxyphenyl)ethanol

: 131362-18-0
BMY 43676

Guidance literature:: Multi-step reaction with 4 steps

1: 44 percent / K₂CO₃, KI / dimethylformamide / 22 h / 130 °C

2: 40 percent / DMAP, pyridine / 17 h / 0 °C

3: 1.) NaH / 1.) DMF, 110 deg C, 2.) DMF, RT, 15 h

4: 77 percent / LiOH*H₂O, H₂O / methanol / 0.5 h / Heating

With pyridine; dmap; lithium hydroxide; water; sodium hydride; potassium carbonate; potassium iodide; In methanol; N,N-dimethyl-formamide;
DOI:10.1021/jm00097a007