4-ethynyl-1,3,5-trimethyl-1H-pyrazole

Base Information

Chemical Name:4-ethynyl-1,3,5-trimethyl-1H-pyrazole
CAS No.:22779-02-8
Molecular Formula:C8H10N2
Molecular Weight:134.181
Hs Code.:
European Community (EC) Number:895-085-1
Nikkaji Number:J2.074.686F
Mol file:22779-02-8.mol

Synonyms:4-ethynyl-1,3,5-trimethyl-1H-pyrazole;22779-02-8;4-ethynyl-1,3,5-trimethylpyrazole;SCHEMBL16631011;1-ethynyl-1,3,5-trimethylpyrazole;MFCD00481868;AKOS006273948;BS-40561;CS-0236385;EN300-1706587;4-Ethynyl-1,3,5-trimethyl-1H-pyrazole, AldrichCPR

Suppliers and Price of 4-ethynyl-1,3,5-trimethyl-1H-pyrazole

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-ethynyl-1,3,5-trimethyl-1H-pyrazole
100mg
$ 130.00

TRC
4-ethynyl-1,3,5-trimethyl-1H-pyrazole
10mg
$ 45.00

Crysdot
4-Ethynyl-1,3,5-trimethyl-1H-pyrazole 97%
5g
$ 1136.00

Crysdot
4-Ethynyl-1,3,5-trimethyl-1H-pyrazole 97%
1g
$ 451.00

Crysdot
4-Ethynyl-1,3,5-trimethyl-1H-pyrazole 97%
10g
$ 1801.00

ChemBridge Corporation
4-ethynyl-1,3,5-trimethyl-1H-pyrazole 95%
10 g
$ 1760.00

AK Scientific
4-Ethynyl-1,3,5-trimethyl-1H-pyrazole
1g
$ 522.00

Total 3 raw suppliers

Chemical Property of 4-ethynyl-1,3,5-trimethyl-1H-pyrazole

Chemical Property:

XLogP3:1.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:134.084398327
Heavy Atom Count:10
Complexity:167

Purity/Quality:

99% ^*data from raw suppliers

4-ethynyl-1,3,5-trimethyl-1H-pyrazole ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:Xn
Statements: 22

MSDS Files:

Useful:

Canonical SMILES:CC1=C(C(=NN1C)C)C#C

Technology Process of 4-ethynyl-1,3,5-trimethyl-1H-pyrazole

There total 6 articles about 4-ethynyl-1,3,5-trimethyl-1H-pyrazole 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: 91.0%

: 1,3,5-trimethyl-4-[(trimethylsilyl)ethynyl]-1H-pyrazole

: 22779-02-8
4-ethynyl-1,3,5-trimethyl-1H-pyrazole

Guidance literature:: With methanol; potassium carbonate; In dichloromethane; at 20 ℃; for 1h;
DOI:10.3987/COM-18-13916

Reference yield: 24.0%

: 51660-65-2
4-iodo-1,3,5-trimethyl-1H-pyrazole

: 74-86-2,25067-58-7
acetylene

: 22779-02-8
4-ethynyl-1,3,5-trimethyl-1H-pyrazole

Guidance literature:: With copper(l) iodide; potassium carbonate; bis-triphenylphosphine-palladium(II) chloride; In N,N-dimethyl-formamide; at 50 - 55 ℃; for 36h;
DOI:10.1016/j.tet.2004.05.093

Reference yield:

: 67-51-6
3,5-dimethyl-1H-pyrazole

: 22779-02-8
4-ethynyl-1,3,5-trimethyl-1H-pyrazole

Guidance literature:: Multi-step reaction with 4 steps

1.1: iodine; ammonium cerium (IV) nitrate / acetonitrile

2.1: sodium hydride / tetrahydrofuran / 20 °C / Inert atmosphere

2.2: 12 h

3.1: bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; triethylamine / 4 h / Inert atmosphere; Reflux

4.1: potassium carbonate; methanol / dichloromethane / 1 h / 20 °C

With methanol; bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; ammonium cerium (IV) nitrate; iodine; sodium hydride; potassium carbonate; triethylamine; In tetrahydrofuran; dichloromethane; acetonitrile; 3.1: |Sonogashira Cross-Coupling;
DOI:10.3987/COM-18-13916