4-(2,2-Difluoroethoxy)benzoic acid

Base Information

Chemical Name:4-(2,2-Difluoroethoxy)benzoic acid
CAS No.:921623-04-3
Molecular Formula:C9H8F2O3
Molecular Weight:202.158
Hs Code.:2918999090
DSSTox Substance ID:DTXSID30599139
Wikidata:Q82494998
Mol file:921623-04-3.mol

Synonyms:4-(2,2-difluoroethoxy)benzoic acid;921623-04-3;MFCD08696482;Benzoic acid, 4-(2,2-difluoroethoxy)-;SCHEMBL4366529;DTXSID30599139;4-(2,2-difluoroethoxy)benzoicacid;STL414521;AKOS000313832;EN300-92444;G43101;Z608351594

Suppliers and Price of 4-(2,2-Difluoroethoxy)benzoic acid

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

TRC
4-(2,2-difluoroethoxy)benzoicAcid
10mg
$ 45.00

AK Scientific
4-(2,2-Difluoroethoxy)benzoicacid
10g
$ 2914.00

Total 1 raw suppliers

Chemical Property of 4-(2,2-Difluoroethoxy)benzoic acid

Chemical Property:

Boiling Point:303.6±42.0 °C(Predicted)
PKA:4.32±0.10(Predicted)
PSA：46.53000
Density:1.314±0.06 g/cm3(Predicted)
LogP:2.02870
XLogP3:2.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:202.04415044
Heavy Atom Count:14
Complexity:189

Purity/Quality:: 4-(2,2-difluoroethoxy)benzoicAcid ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC(=CC=C1C(=O)O)OCC(F)F

Technology Process of 4-(2,2-Difluoroethoxy)benzoic acid

There total 3 articles about 4-(2,2-Difluoroethoxy)benzoic 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: 100.0%

: 128140-72-7
4-(2,2-difluoroethoxy)benzaldehyde

: 921623-04-3
4-(2,2-difluoroethoxy)benzoic acid

Guidance literature:: 4-(2,2-difluoroethoxy)benzaldehyde; With sodium chlorite; sodium dihydrogenphosphate; 2-methyl-but-2-ene; In water; tert-butyl alcohol; at 20 ℃; for 24h;

With water; ammonium chloride; In tert-butyl alcohol;

Reference yield:

: 459-57-4
4-fluorobenzaldehyde

: 921623-04-3
4-(2,2-difluoroethoxy)benzoic acid

Guidance literature:: Multi-step reaction with 2 steps

1.1: sodium hydride / N,N-dimethyl-formamide / 0.25 h / 0 °C

1.2: 4.08 h / 20 °C

2.1: sodium chlorite; sodium dihydrogenphosphate; 2-methyl-but-2-ene / water; tert-butyl alcohol / 24 h / 20 °C

With sodium chlorite; sodium dihydrogenphosphate; 2-methyl-but-2-ene; sodium hydride; In water; N,N-dimethyl-formamide; tert-butyl alcohol;

Reference yield:

: 120-47-8
Ethyl 4-hydroxybenzoate

: 921623-04-3
4-(2,2-difluoroethoxy)benzoic acid

Guidance literature:: Multi-step reaction with 2 steps

1: potassium carbonate / N,N-dimethyl-formamide / 80 °C

2: lithium hydroxide monohydrate; water monomer / methanol / 20 °C

With water monomer; potassium carbonate; lithium hydroxide monohydrate; In methanol; N,N-dimethyl-formamide;