1-N-Boc-4-(3-Ethoxycarbonylmethyl-4-oxo-3,4-dihydro-quinazolin-6-yl)piperazine

Base Information

Chemical Name:1-N-Boc-4-(3-Ethoxycarbonylmethyl-4-oxo-3,4-dihydro-quinazolin-6-yl)piperazine
CAS No.:183622-37-9
Molecular Formula:C₂₁H₂₈N₄O₅
Molecular Weight:416.477
Hs Code.:2933990090
DSSTox Substance ID:DTXSID40445572
Wikidata:Q82264036
Mol file:183622-37-9.mol

Synonyms:183622-37-9;1-N-Boc-4-(3-Ethoxycarbonylmethyl-4-oxo-3,4-dihydro-quinazolin-6-yl)piperazine;tert-butyl 4-[3-(2-ethoxy-2-oxoethyl)-4-oxoquinazolin-6-yl]piperazine-1-carboxylate;tert-Butyl 4-(3-(2-ethoxy-2-oxoethyl)-4-oxo-3,4-dihydroquinazolin-6-yl)piperazine-1-carboxylate;tert-Butyl 4-[3-(2-ethoxy-2-oxoethyl)-4-oxo-3,4-dihydroquinazolin-6-yl]piperazine-1-carboxylate;DTXSID40445572;OZLUJRNPQLWHBT-UHFFFAOYSA-N

Suppliers and Price of 1-N-Boc-4-(3-Ethoxycarbonylmethyl-4-oxo-3,4-dihydro-quinazolin-6-yl)piperazine

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

American Custom Chemicals Corporation
1-N-BOC-4-(3-ETHOXYCARBONYLMETHYL-4-OXO-3,4-DIHYDRO-QUINAZOLIN-6-YL)PIPERAZINE 95.00%
25G
$ 5336.10

Total 0 raw suppliers

Chemical Property of 1-N-Boc-4-(3-Ethoxycarbonylmethyl-4-oxo-3,4-dihydro-quinazolin-6-yl)piperazine

Chemical Property:

PSA：93.97000
LogP:2.01960
XLogP3:2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:7
Exact Mass:416.20597001
Heavy Atom Count:30
Complexity:681

Purity/Quality:: 1-N-BOC-4-(3-ETHOXYCARBONYLMETHYL-4-OXO-3,4-DIHYDRO-QUINAZOLIN-6-YL)PIPERAZINE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCOC(=O)CN1C=NC2=C(C1=O)C=C(C=C2)N3CCN(CC3)C(=O)OC(C)(C)C

Technology Process of 1-N-Boc-4-(3-Ethoxycarbonylmethyl-4-oxo-3,4-dihydro-quinazolin-6-yl)piperazine

There total 5 articles about 1-N-Boc-4-(3-Ethoxycarbonylmethyl-4-oxo-3,4-dihydro-quinazolin-6-yl)piperazine 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:

: 2516-95-2
5-chloro-2-nitrobenzoic acid

: 183622-37-9
4-(3-Ethoxycarbonylmethyl-4-oxo-3,4-dihydro-quinazolin-6-yl)-piperazine-1-carboxylic acid tert-butyl ester

Guidance literature:: Multi-step reaction with 5 steps

1: neat (no solvent) / 2 h / 110 °C

2: aq. NaOH / dioxane / 16 h

3: 3.1 g / HOBT, NMM, EDC / dimethylformamide / 16 h

4: H₂ / 10percent Pd/C / ethanol / 3 h

5: 16 h / Heating

With 4-methyl-morpholine; sodium hydroxide; hydrogen; benzotriazol-1-ol; N-(3-dimethylaminopropyl)-N-ethylcarbodiimide; palladium on activated charcoal; In 1,4-dioxane; ethanol; N,N-dimethyl-formamide;
DOI:10.1021/jm9604787

Reference yield:

: 183622-35-7
2-nitro-5-piperazin-1-ylbenzoic acid

: 183622-37-9
4-(3-Ethoxycarbonylmethyl-4-oxo-3,4-dihydro-quinazolin-6-yl)-piperazine-1-carboxylic acid tert-butyl ester

Guidance literature:: Multi-step reaction with 4 steps

1: aq. NaOH / dioxane / 16 h

2: 3.1 g / HOBT, NMM, EDC / dimethylformamide / 16 h

3: H₂ / 10percent Pd/C / ethanol / 3 h

4: 16 h / Heating

With 4-methyl-morpholine; sodium hydroxide; hydrogen; benzotriazol-1-ol; N-(3-dimethylaminopropyl)-N-ethylcarbodiimide; palladium on activated charcoal; In 1,4-dioxane; ethanol; N,N-dimethyl-formamide;
DOI:10.1021/jm9604787

Reference yield:

: 183622-36-8
5-(4-(tert-butoxycarbonyl)piperazin-1-yl)-2-nitrobenzoic acid

: 183622-37-9
4-(3-Ethoxycarbonylmethyl-4-oxo-3,4-dihydro-quinazolin-6-yl)-piperazine-1-carboxylic acid tert-butyl ester

Guidance literature:: Multi-step reaction with 3 steps

1: 3.1 g / HOBT, NMM, EDC / dimethylformamide / 16 h

2: H₂ / 10percent Pd/C / ethanol / 3 h

3: 16 h / Heating

With 4-methyl-morpholine; hydrogen; benzotriazol-1-ol; N-(3-dimethylaminopropyl)-N-ethylcarbodiimide; palladium on activated charcoal; In ethanol; N,N-dimethyl-formamide;
DOI:10.1021/jm9604787