Ethyl 5-bromo-1-tert-butyl-1H-pyrazole-4-carboxylate

Base Information

Chemical Name:Ethyl 5-bromo-1-tert-butyl-1H-pyrazole-4-carboxylate
CAS No.:1245272-40-5
Molecular Formula:C10H15BrN2O2
Molecular Weight:275.1423
Hs Code.:2933199090
DSSTox Substance ID:DTXSID80700132
Wikidata:Q82631325
Mol file:1245272-40-5.mol

Synonyms:1245272-40-5;ETHYL 5-BROMO-1-TERT-BUTYL-1H-PYRAZOLE-4-CARBOXYLATE;Ethyl 5-bromo-1-(tert-butyl)-1H-pyrazole-4-carboxylate;ethyl 5-bromo-1-tert-butylpyrazole-4-carboxylate;5-Bromo-1-tert-butyl-1H-pyrazole-4-carboxylic acid ethyl ester;1H-Pyrazole-4-carboxylic acid, 5-bromo-1-(1,1-dimethylethyl)-, ethyl ester;SCHEMBL2672130;DTXSID80700132;RSUGKABMEVWWKL-UHFFFAOYSA-N;AKOS022172929;FT-0718491;A12035;EN300-267920;ethyl5-bromo-1-tert-butyl-1H-pyrazole-4-carboxylate;Ethyl5-bromo-1-(tert-butyl)-1H-pyrazole-4-carboxylate

Suppliers and Price of Ethyl 5-bromo-1-tert-butyl-1H-pyrazole-4-carboxylate

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

Chemenu
ethyl5-bromo-1-(tert-butyl)-1H-pyrazole-4-carboxylate 95%
1g
$ 404.00

Alichem
Ethyl5-bromo-1-(tert-butyl)-1H-pyrazole-4-carboxylate
1g
$ 450.45

AK Scientific
Ethyl5-bromo-1-tert-butyl-1H-pyrazole-4-carboxylate
2.5g
$ 966.00

AK Scientific
Ethyl5-bromo-1-tert-butyl-1H-pyrazole-4-carboxylate
1g
$ 542.00

Total 4 raw suppliers

Chemical Property of Ethyl 5-bromo-1-tert-butyl-1H-pyrazole-4-carboxylate

Chemical Property:

PSA：44.12000
LogP:2.57730
XLogP3:2.4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:274.03169
Heavy Atom Count:15
Complexity:240

Purity/Quality:

97% ^*data from raw suppliers

ethyl5-bromo-1-(tert-butyl)-1H-pyrazole-4-carboxylate 95% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCOC(=O)C1=C(N(N=C1)C(C)(C)C)Br

Technology Process of Ethyl 5-bromo-1-tert-butyl-1H-pyrazole-4-carboxylate

There total 2 articles about Ethyl 5-bromo-1-tert-butyl-1H-pyrazole-4-carboxylate 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: 90.0%

: 112779-14-3
1-(tert-butyl)-5-amino-pyrazole-4-carboxylic acid ethyl ester

: 1245272-40-5
ethyl 5-bromo-1-tert-butyl-1H-pyrazole-4-carboxylate

Guidance literature:: With n-Amyl nitrite; copper(ll) bromide; In acetonitrile; at 20 ℃; for 4h;

Reference yield:

: 94-05-3,42466-69-3
ethyl (ethoxymethylene)cyanoacetate

: 1245272-40-5
ethyl 5-bromo-1-tert-butyl-1H-pyrazole-4-carboxylate

Guidance literature:: Multi-step reaction with 2 steps

1: sodium acetate / ethanol / 20 h / Reflux

2: n-Amyl nitrite; copper(ll) bromide / acetonitrile / 4 h / 20 °C

With n-Amyl nitrite; sodium acetate; copper(ll) bromide; In ethanol; acetonitrile;

Reference yield:

: 1245272-40-5
ethyl 5-bromo-1-tert-butyl-1H-pyrazole-4-carboxylate

: 1421847-33-7
2-{2-[1-tert-butyl-5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-1,3-thiazol-4-yl}-N-(tetrahydro-2H-pyran-4-ylmethyl)acetamide

Guidance literature:: Multi-step reaction with 7 steps

1: sodium hydroxide; water / ethanol; tetrahydrofuran / 2.5 h / 60 °C

2: ammonium chloride; benzotriazol-1-ol; triethylamine; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride / N,N-dimethyl-formamide; water / 14 h / 20 °C

3: Lawessons reagent / tetrahydrofuran / 2 h / 60 °C

4: ethanol / 16 h / 80 °C

5: sodium hydroxide; water / ethanol; tetrahydrofuran / 2 h / 20 °C

6: N-ethyl-N,N-diisopropylamine; HATU / N,N-dimethyl-formamide / 2 h / 20 °C

7: potassium phosphate; dicyclohexyl-(2',6'-dimethoxybiphenyl-2-yl)-phosphane; palladium diacetate / toluene / 18 h / 90 °C / Inert atmosphere

With dicyclohexyl-(2',6'-dimethoxybiphenyl-2-yl)-phosphane; Lawessons reagent; potassium phosphate; water; palladium diacetate; ammonium chloride; benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine; N-ethyl-N,N-diisopropylamine; HATU; sodium hydroxide; In tetrahydrofuran; ethanol; water; N,N-dimethyl-formamide; toluene;