3-(Difluoromethoxy)-4-methoxybenzoic acid

Base Information

Chemical Name:3-(Difluoromethoxy)-4-methoxybenzoic acid
CAS No.:162401-65-2
Molecular Formula:C9H8F2O4
Molecular Weight:218.157
Hs Code.:2913000090
European Community (EC) Number:851-038-7
Mol file:162401-65-2.mol

Synonyms:3-(difluoromethoxy)-4-methoxybenzoic acid;162401-65-2;3-difluoromethoxy-4-methoxybenzoic acid;SCHEMBL3536547;DDERGTQRHJFPCR-UHFFFAOYSA-N;AKOS008118512;3-(difluoromethoxy)-4-methoxybenzoicacid;DB-294239;CS-0248883;EN300-41793;G25413;Z362637566

Suppliers and Price of 3-(Difluoromethoxy)-4-methoxybenzoic 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
3-Difluoromethoxy-4-methoxybenzoicAcid
100mg
$ 165.00

TRC
3-Difluoromethoxy-4-methoxybenzoicAcid
1g
$ 1320.00

AK Scientific
3-(Difluoromethoxy)-4-methoxybenzoicacid
2.5g
$ 892.00

AK Scientific
3-(Difluoromethoxy)-4-methoxybenzoicacid
100mg
$ 203.00

Total 4 raw suppliers

Chemical Property of 3-(Difluoromethoxy)-4-methoxybenzoic acid

Chemical Property:

PSA：55.76000
LogP:1.99480
XLogP3:2.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:218.03906506
Heavy Atom Count:15
Complexity:222

Purity/Quality:

99%+ ^*data from raw suppliers

3-Difluoromethoxy-4-methoxybenzoicAcid ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC1=C(C=C(C=C1)C(=O)O)OC(F)F
Uses 3-Difluoromethoxy-4-methoxybenzoic Acid is an impurity of the antiasthmatic drug Roflumilast (R639700).

Technology Process of 3-(Difluoromethoxy)-4-methoxybenzoic acid

There total 2 articles about 3-(Difluoromethoxy)-4-methoxybenzoic 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: 89.0%

: 153587-11-2
3-difluoromethoxy-4-methoxy-benzaldehyde

: 162401-65-2
4-difluoromethoxy-3-methoxybenzoic acid

Guidance literature:: With sodium chlorate; aminosulfonic acid;

Reference yield:

: 162401-65-2
4-difluoromethoxy-3-methoxybenzoic acid

Guidance literature:

Reference yield: 61.0%

: 162401-65-2
4-difluoromethoxy-3-methoxybenzoic acid

: 89343-06-6
tris-iso-propylsilyl acetylene

: ((3-(difluoromethoxy)-4-methoxyphenyl)ethynyl)triisopropylsilane

Guidance literature:: With 1-methyl-1H-imidazole; 1,3-bis-(diphenylphosphino)propane; CuI*C₁₆H₃₆N⁽¹⁺⁾*I^(1-); methanesulfonato 1,1-ferrocenediyl-bis(diphenylphosphino)(2’-amino-1,1’-biphenyl-2-yl)palladium(ll); 2,2-dimethylpropanoic anhydride; In 1,4-dioxane; at 100 ℃; for 16h; Sealed tube; Inert atmosphere; Schlenk technique;
DOI:10.1002/chem.202102130