2-Bromo-N-[4-(2-fluorobenzoyl)-1,3-dimethyl-1H-pyrazol-5-yl]-acetamide

Base Information

Chemical Name:2-Bromo-N-[4-(2-fluorobenzoyl)-1,3-dimethyl-1H-pyrazol-5-yl]-acetamide
CAS No.:63960-69-0
Molecular Formula:C14H13BrFN3O2
Molecular Weight:354.17400
Hs Code.:
DSSTox Substance ID:DTXSID80496088
Wikidata:Q82344704
Mol file:63960-69-0.mol

Synonyms:63960-69-0;2-Bromo-N-[4-(2-fluorobenzoyl)-1,3-dimethyl-1H-pyrazol-5-yl]-acetamide;2-bromo-N-[4-(2-fluorobenzoyl)-2,5-dimethylpyrazol-3-yl]acetamide;SCHEMBL11191018;DTXSID80496088;FT-0663757;2-Bromo-N-[4-(2-fluorobenzoyl)-1,3-dimethyl-1H-pyrazol-5-yl]acetamide

Suppliers and Price of 2-Bromo-N-[4-(2-fluorobenzoyl)-1,3-dimethyl-1H-pyrazol-5-yl]-acetamide

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

Medical Isotopes, Inc.
2-Bromo-N-[4-(2-fluorobenzoyl)-1,3-dimethyl-1H-pyrazol-5-yl]-acetamide
250 mg
$ 2400.00

Medical Isotopes, Inc.
2-Bromo-N-[4-(2-fluorobenzoyl)-1,3-dimethyl-1H-pyrazol-5-yl]-acetamide
25 mg
$ 675.00

Total 3 raw suppliers

Chemical Property of 2-Bromo-N-[4-(2-fluorobenzoyl)-1,3-dimethyl-1H-pyrazol-5-yl]-acetamide

Chemical Property:

Melting Point:190-192 °C(Solv: isopropanol (67-63-0))
Boiling Point:537.8±50.0 °C(Predicted)
PKA:11.23±0.70(Predicted)
PSA：67.48000
Density:1.54±0.1 g/cm3(Predicted)
LogP:3.08150
XLogP3:2.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:353.01752
Heavy Atom Count:21
Complexity:410

Purity/Quality:

99% ^*data from raw suppliers

2-Bromo-N-[4-(2-fluorobenzoyl)-1,3-dimethyl-1H-pyrazol-5-yl]-acetamide ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=NN(C(=C1C(=O)C2=CC=CC=C2F)NC(=O)CBr)C
Uses 2-BroMo-N-[4-(2-fluorobenzoyl)-1,3-diMethyl-1H-pyrazol-5-yl]-acetaMide is an intermediate in the syntheis of a Zolazepam (Z613500) metabolite, It is used in the preparation of pyrazolodiazepines as antianxiety and anticonvulsant agents.

Technology Process of 2-Bromo-N-[4-(2-fluorobenzoyl)-1,3-dimethyl-1H-pyrazol-5-yl]-acetamide

There total 8 articles about 2-Bromo-N-[4-(2-fluorobenzoyl)-1,3-dimethyl-1H-pyrazol-5-yl]-acetamide 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:

: 1072-85-1
o-fluorobromobenzene

: 63960-69-0
2-bromo-N-<4-(2-fluorobenzoyl)-1,3-dimethyl-1H-pyrazol-5-yl>acetamide

Guidance literature:: Multi-step reaction with 4 steps

1: 1.) n-BuLi / 1.) THF, hexane, -70 deg C, 15 min, 2.) THF, from -70 deg C to RT, 18 h

2: 43 percent / Jones reagent / CH₂Cl₂ / 0.33 h / 0 °C

3: 10.0 g / 3 N aq. HCl / 18 h / Heating

With hydrogenchloride; n-butyllithium; jones reagent; In dichloromethane;
DOI:10.1021/jm00159a011

Reference yield:

: 103068-61-7
5-<<(dimethylamino)methylene>amino>-1,3-dimethyl-1H-pyrazole-4-carboxaldehyde

: 63960-69-0
2-bromo-N-<4-(2-fluorobenzoyl)-1,3-dimethyl-1H-pyrazol-5-yl>acetamide

Guidance literature:: Multi-step reaction with 4 steps

1: 1.) n-BuLi / 1.) THF, hexane, -70 deg C, 15 min, 2.) THF, from -70 deg C to RT, 18 h

2: 43 percent / Jones reagent / CH₂Cl₂ / 0.33 h / 0 °C

3: 10.0 g / 3 N aq. HCl / 18 h / Heating

With hydrogenchloride; n-butyllithium; jones reagent; In dichloromethane;
DOI:10.1021/jm00159a011

Reference yield:

: 103068-62-8
5-<<(dimethylamino)methylene>amino>-α-(2-fluorophenyl)-1,3-dimethyl-1H-pyrazole-4-methanol

: 63960-69-0
2-bromo-N-<4-(2-fluorobenzoyl)-1,3-dimethyl-1H-pyrazol-5-yl>acetamide

Guidance literature:: Multi-step reaction with 3 steps

1: 43 percent / Jones reagent / CH₂Cl₂ / 0.33 h / 0 °C

2: 10.0 g / 3 N aq. HCl / 18 h / Heating

With hydrogenchloride; jones reagent; In dichloromethane;
DOI:10.1021/jm00159a011