2-[1-Methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophene-5-carboxylic acid

Base Information

Chemical Name:2-[1-Methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophene-5-carboxylic acid
CAS No.:175202-29-6
Molecular Formula:C10H7F3N2O2S
Molecular Weight:276.23500
Hs Code.:2934999090
European Community (EC) Number:671-941-8
DSSTox Substance ID:DTXSID00379647
Wikidata:Q82169545
Mol file:175202-29-6.mol

Synonyms:175202-29-6;2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophene-5-carboxylic acid;5-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxylic Acid;5-(1-Methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl)thiophene-2-carboxylic acid;2-[1-Methyl-3-(trifluoromethyl)pyrazol-5-yl]-thiophene-5-carboxylic acid;5-[1-Methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]thiophene-2-carboxylic acid;2-[1-methyl-3-(trifluoromethyl)pyrazolo-5-yl]thiophene-5-carboxylic acid;5-(1-Methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl)thiophene-2-carboxylicacid;SCHEMBL3249785;DTXSID00379647;MFCD00085143;AKOS022181161;FT-0619876;A811837;5-(1-methyl-3-trifluoromethyl-1H-pyrazol-5-yl)thiophene-2-carboxylic acid;5-(2-methyl-5-trifluoromethyl-2h-pyrazol-3-yl)-thiophene-2-carboxylic acid;5-[2-methyl-5-(trifluoromethyl)-3-pyrazolyl]-2-thiophenecarboxylic acid;2-[1-METHYL-3-(TRIFLUOROMETHYL)PYRAZOL-5-YL]-THIOPHENE-5-CARBOXYLICACID;5-[1-Methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]thiophene-2-carboxylic acid, AldrichCPR

Suppliers and Price of 2-[1-Methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophene-5-carboxylic 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-[1-Methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophene-5-carboxylic acid 97%
250 mg
$ 225.00

SynQuest Laboratories
2-[1-Methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophene-5-carboxylic acid 97%
50 mg
$ 75.00

Crysdot
5-(1-Methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl)thiophene-2-carboxylicacid 95+%
1g
$ 676.00

Apolloscientific
5-[1-Methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]thiophene-2-carboxylicacid 97%
250mg
$ 225.00

Apolloscientific
5-[1-Methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]thiophene-2-carboxylicacid 97%
50mg
$ 80.00

American Custom Chemicals Corporation
2-[1-METHYL-3-(TRIFLUOROMETHYL)PYRAZOL-5-YL]THIOPHENE-5-CARBOXYLIC ACID 95.00%
250MG
$ 788.52

Total 11 raw suppliers

Chemical Property of 2-[1-Methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophene-5-carboxylic acid

Chemical Property:

Vapor Pressure:1.09E-07mmHg at 25°C
Melting Point:213-218oC
Boiling Point:416.7oC at 760 mmHg
PKA:3.38±0.10(Predicted)
Flash Point:205.8oC
PSA：83.36000
Density:1.58g/cm3
LogP:2.86560
Sensitive.:Stench
XLogP3:2.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:2
Exact Mass:276.01803313
Heavy Atom Count:18
Complexity:340

Purity/Quality:

97% ^*data from raw suppliers

2-[1-Methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophene-5-carboxylic acid 97% ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xi
Hazard Codes:Xi,T
Statements: 36/37/38-25
Safety Statements: 26-36-45

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CN1C(=CC(=N1)C(F)(F)F)C2=CC=C(S2)C(=O)O

Technology Process of 2-[1-Methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophene-5-carboxylic acid

There total 6 articles about 2-[1-Methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophene-5-carboxylic 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%

: 223500-08-1
ethyl 5-(1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl)thiophene-2-carboxylate

: 175202-29-6
5-(1-methyl-3-trifluoromethyl-1H-pyrazol-5-yl)thiophene-2-carboxylic acid

Guidance literature:: With sodium hydroxide; In ethanol; at 20 ℃; for 4h;
DOI:10.1016/j.bmc.2006.03.024

Reference yield:

: 33148-82-2
5-acetyl-thiophene-2-carboxylic acid ethyl ester

: 175202-29-6
5-(1-methyl-3-trifluoromethyl-1H-pyrazol-5-yl)thiophene-2-carboxylic acid

Guidance literature:: Multi-step reaction with 3 steps

1.1: sodium ethanolate / toluene / 0.5 h / 30 °C

1.2: 19 h / 20 - 40 °C

2.1: acetic acid / ethanol / 16 h / 75 °C

3.1: sodium hydroxide; water / 1,4-dioxane / 16 h / 20 °C

With water; sodium ethanolate; acetic acid; sodium hydroxide; In 1,4-dioxane; ethanol; toluene; 1.1: |Claisen Condensation / 1.2: |Claisen Condensation;
DOI:10.1021/acschemneuro.7b00282

Reference yield:

: 679396-71-5
ethyl 5-(4,4,4-trifluoro-3-oxobutanoyl)thiophene-2-carboxylate

: 175202-29-6
5-(1-methyl-3-trifluoromethyl-1H-pyrazol-5-yl)thiophene-2-carboxylic acid

Guidance literature:: Multi-step reaction with 2 steps

1: acetic acid / ethanol / 16 h / 75 °C

2: sodium hydroxide; water / 1,4-dioxane / 16 h / 20 °C

With water; acetic acid; sodium hydroxide; In 1,4-dioxane; ethanol;
DOI:10.1021/acschemneuro.7b00282