2,2-Difluoro-2-p-tolylacetic acid

Base Information

Chemical Name:2,2-Difluoro-2-p-tolylacetic acid
CAS No.:131323-10-9
Molecular Formula:C₉H₈F₂O₂
Molecular Weight:186.158
Hs Code.:2916399090
European Community (EC) Number:866-994-0
DSSTox Substance ID:DTXSID40599403
Wikidata:Q82495283
Mol file:131323-10-9.mol

Synonyms:2,2-difluoro-2-p-tolylacetic acid;131323-10-9;2,2-Difluoro-2-(p-tolyl)acetic acid;2,2-Difluoro-2-(4-methylphenyl)acetic acid;Difluoro(4-methylphenyl)acetic acid;MFCD11007728;Benzeneacetic acid, alpha,alpha-difluoro-4-methyl-;2,2-Difluoro-2-(p-tolyl)aceticacid;Difluoro-(p-tolyl)acetic acid;SCHEMBL5860009;DTXSID40599403;2,2-Difluoro-2-p-tolyacetic acid;AC3716;AKOS009222141;BS-20491;SY038864;DB-346397;CS-0212576;EN300-96764;A927768

Suppliers and Price of 2,2-Difluoro-2-p-tolylacetic 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
2,2-Difluoro-2-p-tolylaceticacid
1g
$ 395.00

Crysdot
2,2-Difluoro-2-(p-tolyl)aceticacid 95+%
5g
$ 710.00

Crysdot
2,2-Difluoro-2-(p-tolyl)aceticacid 95+%
1g
$ 325.00

Chemenu
2,2-difluoro-2-(p-tolyl)aceticacid 95%
5g
$ 1010.00

Chemenu
2,2-difluoro-2-(p-tolyl)aceticacid 95%
1g
$ 337.00

Apolloscientific
2,2-Difluoro-2-p-tolylaceticacid 98%
1g
$ 435.00

American Custom Chemicals Corporation
2,2-DIFLUORO-2-PARA-TOLYLACETIC ACID 95.00%
5MG
$ 503.06

Alichem
2,2-Difluoro-2-(p-tolyl)aceticacid
5g
$ 1090.80

AK Scientific
2,2-Difluoro-2-p-tolylaceticacid
5g
$ 1011.00

Total 8 raw suppliers

Chemical Property of 2,2-Difluoro-2-p-tolylacetic acid

Chemical Property:

Boiling Point:272.8±35.0 °C(Predicted)
PKA:1.08±0.10(Predicted)
Density:1.284±0.06 g/cm3(Predicted)
Storage Temp.:2-8°C
XLogP3:2.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:186.04923582
Heavy Atom Count:13
Complexity:196

Purity/Quality:

97% ^*data from raw suppliers

2,2-Difluoro-2-p-tolylaceticacid ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

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

Technology Process of 2,2-Difluoro-2-p-tolylacetic acid

There total 5 articles about 2,2-Difluoro-2-p-tolylacetic 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: 84.0%

: 131323-06-3
α,α-difluoro-4-methylbenzeneacetic acid ethyl ester

: 131323-10-9
α,α-difluoro-4-methylbenzeneacetic acid

Guidance literature:: With potassium hydroxide; In acetonitrile; for 1h; Ambient temperature;
DOI:10.1021/jm00107a037

Reference yield: 64.0%

: 624-31-7
4-tolyl iodide

: 667-27-6
Ethyl bromodifluoroacetate

: 131323-10-9
α,α-difluoro-4-methylbenzeneacetic acid

Guidance literature:: 4-tolyl iodide; Ethyl bromodifluoroacetate; With copper; In dimethyl sulfoxide; at 60 ℃; for 12h;

With potassium carbonate; In methanol; at 20 ℃; for 2h;
DOI:10.1021/acs.orglett.6b01188

Reference yield:

: 5524-56-1
ethyl 2-p-tolyl-2-oxoacetate

: 131323-10-9
α,α-difluoro-4-methylbenzeneacetic acid

Guidance literature:: Multi-step reaction with 2 steps

1: 85 percent / (dimethylamido)sulfur trifluoride (DAST) / 0 - 20 °C

2: 84 percent / 5 N aq. KOH / acetonitrile / 1 h / Ambient temperature

With potassium hydroxide; (dimethylamido)sulfur trifluoride; In acetonitrile;
DOI:10.1021/jm00107a037