7-Amino-3-(2-(4-(2-tritio-4-fluorobenzoyl)-1-piperidinyl)ethyl)-2,4-(1H,3H)quinazolinedione

Base Information

Chemical Name:7-Amino-3-(2-(4-(2-tritio-4-fluorobenzoyl)-1-piperidinyl)ethyl)-2,4-(1H,3H)quinazolinedione
CAS No.:102745-99-3
Molecular Formula:C22H22 F N4 O3 T
Molecular Weight:410.447
Hs Code.:
DSSTox Substance ID:DTXSID40145484
Wikidata:Q83010048
Mol file:102745-99-3.mol

Synonyms:7-amino-3-(2-(4-(2-tritio-4-fluorobenzoyl)-1-piperidinyl)ethyl)-2,4-(1H,3H)quinazolinedione;7-aminoketanserin

Suppliers and Price of 7-Amino-3-(2-(4-(2-tritio-4-fluorobenzoyl)-1-piperidinyl)ethyl)-2,4-(1H,3H)quinazolinedione

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

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Chemicals and raw materials
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Total 1 raw suppliers

Chemical Property of 7-Amino-3-(2-(4-(2-tritio-4-fluorobenzoyl)-1-piperidinyl)ethyl)-2,4-(1H,3H)quinazolinedione

Chemical Property:

Boiling Point:°Cat760mmHg
Flash Point:°C
PSA：101.45000
Density:g/cm³
LogP:2.93740
XLogP3:1.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:412.18364302
Heavy Atom Count:30
Complexity:659

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1CN(CCC1C(=O)C2=CC=C(C=C2)F)CCN3C(=O)C4=C(C=C(C=C4)N)NC3=O
Isomeric SMILES:[3H]C1=CC(=CC=C1C(=O)C2CCN(CC2)CCN3C(=O)C4=C(C=C(C=C4)N)NC3=O)F

Technology Process of 7-Amino-3-(2-(4-(2-tritio-4-fluorobenzoyl)-1-piperidinyl)ethyl)-2,4-(1H,3H)quinazolinedione

There total 6 articles about 7-Amino-3-(2-(4-(2-tritio-4-fluorobenzoyl)-1-piperidinyl)ethyl)-2,4-(1H,3H)quinazolinedione 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: 18.0%

: 102745-98-2
7-amino-3-<2-<4-(2-bromo-4-fluorobenzoyl)-1-piperidinyl>ethyl>-2,4-(1H,3H)-quinazolinedione

: 102745-99-3
7-amino-3-<2-<4-(2-tritio-4-fluorobenzoyl)-1-piperidinyl>ethyl>-2,4-(1H,3H)-quinazolinedione

Guidance literature:: With thiophene; tritium; palladium on activated charcoal; calcium oxide; In tetrahydrofuran; for 18h; Ambient temperature;
DOI:10.1021/jm00159a017

Reference yield:

: 1073-06-9
3-fluorobromobenzene

: 102745-99-3
7-amino-3-<2-<4-(2-tritio-4-fluorobenzoyl)-1-piperidinyl>ethyl>-2,4-(1H,3H)-quinazolinedione

Guidance literature:: Multi-step reaction with 4 steps

1: 22 percent / AlCl₃ / 2 h / 80 °C

2: 78 percent / concd. HCl / 3 h / Heating

3: 15 percent / Na₂CO₃, KI / various solvent(s) / 20 h / Heating

4: 18 percent / T₂, thiophene / 10percent Pd/C, calcium oxide / tetrahydrofuran / 18 h / Ambient temperature

With thiophene; hydrogenchloride; aluminium trichloride; tritium; sodium carbonate; potassium iodide; palladium on activated charcoal; calcium oxide; In tetrahydrofuran;
DOI:10.1021/jm00159a017

Reference yield:

: 59084-16-1
1-acetylpiperidine-4-carbonyl chloride

: 102745-99-3
7-amino-3-<2-<4-(2-tritio-4-fluorobenzoyl)-1-piperidinyl>ethyl>-2,4-(1H,3H)-quinazolinedione

Guidance literature:: Multi-step reaction with 4 steps

1: 22 percent / AlCl₃ / 2 h / 80 °C

2: 78 percent / concd. HCl / 3 h / Heating

3: 15 percent / Na₂CO₃, KI / various solvent(s) / 20 h / Heating

4: 18 percent / T₂, thiophene / 10percent Pd/C, calcium oxide / tetrahydrofuran / 18 h / Ambient temperature

With thiophene; hydrogenchloride; aluminium trichloride; tritium; sodium carbonate; potassium iodide; palladium on activated charcoal; calcium oxide; In tetrahydrofuran;
DOI:10.1021/jm00159a017