2,6-Difluoro-4-methylbenzoic acid

Base Information

Chemical Name:2,6-Difluoro-4-methylbenzoic acid
CAS No.:1201597-23-0
Molecular Formula:C8H6F2O2
Molecular Weight:172.131
Hs Code.:2916399090
European Community (EC) Number:836-954-7
DSSTox Substance ID:DTXSID40695171
Wikidata:Q82624253
Mol file:1201597-23-0.mol

Synonyms:2,6-DIFLUORO-4-METHYLBENZOIC ACID;1201597-23-0;2,6-Difluoro-4-methylbenzoicacid;MFCD11847292;2,6-DIFLUORO-4-METHYL-BENZOIC ACID;SCHEMBL290102;DTXSID40695171;NSHGGEJETYWOKY-UHFFFAOYSA-N;AKOS016002451;AM62229;CS-W021528;Benzoic acid, 2,6-difluoro-4-methyl-;DS-14263;SY034696;EN300-115868;A892321;Z1255462241

Suppliers and Price of 2,6-Difluoro-4-methylbenzoic 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

SynQuest Laboratories
2,6-Difluoro-4-methylbenzoic acid
5 g
$ 1453.00

SynQuest Laboratories
2,6-Difluoro-4-methylbenzoic acid
1 g
$ 485.00

SynQuest Laboratories
2,6-Difluoro-4-methylbenzoic acid
250 mg
$ 194.00

Crysdot
2,6-Difluoro-4-methylbenzoicacid 98%
1g
$ 182.00

ChemScene
2,6-Difluoro-4-methylbenzoicacid
10g
$ 933.00

ChemScene
2,6-Difluoro-4-methylbenzoicacid
5g
$ 475.00

ChemScene
2,6-Difluoro-4-methylbenzoicacid
100mg
$ 53.00

Apolloscientific
2,6-Difluoro-4-methylbenzoic acid 98%
5g
$ 1226.00

Apolloscientific
2,6-Difluoro-4-methylbenzoic acid 98%
250mg
$ 164.00

Apolloscientific
2,6-Difluoro-4-methylbenzoic acid 98%
1g
$ 410.00

Total 16 raw suppliers

Chemical Property of 2,6-Difluoro-4-methylbenzoic acid

Chemical Property:

PSA：37.30000
LogP:1.97140
Storage Temp.:Sealed in dry,Room Temperature
XLogP3:2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:172.03358575
Heavy Atom Count:12
Complexity:172

Purity/Quality:

97% ^*data from raw suppliers

2,6-Difluoro-4-methylbenzoic acid ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CC(=C(C(=C1)F)C(=O)O)F

Technology Process of 2,6-Difluoro-4-methylbenzoic acid

There total 4 articles about 2,6-Difluoro-4-methylbenzoic 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: 64.0%

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

: 117358-51-7
1,3-difluoro-5-methylbenzene

: 1201597-23-0
2,6-difluoro-4-methylbenzoic acid

Guidance literature:: 1,3-difluoro-5-methylbenzene; With n-butyllithium; In tetrahydrofuran; hexane; at -50 ℃; for 1.5h;

carbon dioxide; In tetrahydrofuran; hexane; at -78 - 25 ℃; for 2.5h;
DOI:10.1021/acs.orglett.8b01502

Reference yield: 53.0%

: 1201597-22-9
2,6-difluoro-4-methylbenzaldehyde

: 1201597-23-0
2,6-difluoro-4-methylbenzoic acid

Guidance literature:: 2,6-difluoro-4-methylbenzaldehyde; With sodium hydroxide; silver(l) oxide; In water; for 1.5h;

With hydrogenchloride; In water; pH=2;

Reference yield:

: 117358-51-7
1,3-difluoro-5-methylbenzene

: 1201597-23-0
2,6-difluoro-4-methylbenzoic acid

Guidance literature:: Multi-step reaction with 2 steps

1.1: n-butyllithium / diethyl ether; hexane / 1.83 h / -50 °C

1.2: 1.83 h / -50 °C

2.1: sodium hydroxide / silver(l) oxide / hexane; water / 1.5 h

2.2: pH 2

With n-butyllithium; sodium hydroxide; silver(l) oxide; In diethyl ether; hexane; water;