tert-butyl 4-(2-fluoro-5-((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)benzoyl)piperazine-1-carboxylate

Base Information

Chemical Name:tert-butyl 4-(2-fluoro-5-((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)benzoyl)piperazine-1-carboxylate
CAS No.:763114-04-1
Molecular Formula:C25H27FN4O4
Molecular Weight:466.512
Hs Code.:
Mol file:763114-04-1.mol

Synonyms:tert-butyl 4-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]piperazine-1-carboxylate;4-[2-fluoro-5-(4-oxo-3,4-dihydro-phthalazin-1-ylmethyl)-benzoyl]-piperazine-1-carboxylic acid tert-butyl ester;tert-butyl 4-[2-(aminocarbonyl)-1-benzofuran-5-yl]piperazine-1-carboxylate;tert-butyl 4-(2-fluoro-5-((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)benzoyl)piperazin-1-carboxylate;5-(4-tert-butoxycarbonyl-1-piperazinyl)benzofuran-2-carboxamide;Tert-butyl 4-(2-carbamoylbenzofuran-5-yl)piperazine-1-carboxylate;

Suppliers and Price of tert-butyl 4-(2-fluoro-5-((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)benzoyl)piperazine-1-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

TRC
tert-Butyl4-(2-fluoro-5-((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)benzoyl)piperazine-1-carboxylate
50mg
$ 130.00

Total 22 raw suppliers

Chemical Property of tert-butyl 4-(2-fluoro-5-((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)benzoyl)piperazine-1-carboxylate

Chemical Property:

PSA：95.86000
LogP:3.63400

Purity/Quality:

99% ^*data from raw suppliers

tert-Butyl4-(2-fluoro-5-((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)benzoyl)piperazine-1-carboxylate ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Uses tert-Butyl 4-(2-fluoro-5-((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)benzoyl)piperazine-1-carboxylate is an intermediate used in the preparation of 4-benzyl-2H-phthalazin-1-ones that functions as PARP-1 and PARP-2 inhibitor.

Technology Process of tert-butyl 4-(2-fluoro-5-((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)benzoyl)piperazine-1-carboxylate

There total 14 articles about tert-butyl 4-(2-fluoro-5-((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)benzoyl)piperazine-1-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: 96.0%

: 763114-26-7
2-fluoro-5-[(4’-oxo-3’H-phthalazin-1’-yl)methyl]benzoic acid

: 57260-71-6
1-t-Butoxycarbonylpiperazine

: 763114-04-1
tert-butyl 4-[2’-fluoro-5’-[(4’’-oxo-3’’H-phthalazin-1’’-yl)methyl]benzoyl]piperazine-1-carboxylate

Guidance literature:: With O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; triethylamine; In N,N-dimethyl-formamide; at 20 ℃; for 2h; Inert atmosphere;
DOI:10.1021/jm8001263

Reference yield: 44.0%

: 1062292-60-7
4-(3-bromo-4-fluorobenzyl)phthalazin-1(2H)-one

: 201230-82-2
carbon monoxide

: 57260-71-6
1-t-Butoxycarbonylpiperazine

: 763114-04-1
tert-butyl 4-[2’-fluoro-5’-[(4’’-oxo-3’’H-phthalazin-1’’-yl)methyl]benzoyl]piperazine-1-carboxylate

Guidance literature:: With tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; N-ethyl-N,N-diisopropylamine; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; In 1,4-dioxane; at 80 ℃; for 72h; Glovebox; Sealed tube;
DOI:10.1002/chem.202005261

Reference yield:

: 61260-15-9
dimethyl (3-oxo-1,3-dihydroisobenzofuran-1-yl)phosphonate

: 763114-04-1
tert-butyl 4-[2’-fluoro-5’-[(4’’-oxo-3’’H-phthalazin-1’’-yl)methyl]benzoyl]piperazine-1-carboxylate

Guidance literature:: Multi-step reaction with 3 steps

1.1: triethylamine / tetrahydrofuran / 15 - 20 °C

2.1: sodium hydroxide; water / 1 h / 90 °C

2.2: 70 °C

2.3: 20 °C / pH 3 - 4

3.1: N-ethyl-N,N-diisopropylamine; HATU / N,N-dimethyl-formamide / 24 h / 20 °C

With water; triethylamine; N-ethyl-N,N-diisopropylamine; HATU; sodium hydroxide; In tetrahydrofuran; N,N-dimethyl-formamide;