7-((4-(4-Chlorophenyl)piperazin-1-yl)methyl)-4H-1,4-benzoxazin-3-one

Base Information

Chemical Name:7-((4-(4-Chlorophenyl)piperazin-1-yl)methyl)-4H-1,4-benzoxazin-3-one
CAS No.:200195-01-3
Molecular Formula:C19H20ClN3O2
Molecular Weight:
Hs Code.:
UNII:G7FMS28PYD
Nikkaji Number:J1.250.430F
Pharos Ligand ID:FW9PR7YYLW4V
ChEMBL ID:CHEMBL346389

Synonyms:7-(4-(4-chlorophenyl)piperazin-1-ylmethyl)-4H-benzo(1,4)oxazin-3-one;CI 1030;CI-1030;CI1030

Suppliers and Price of 7-((4-(4-Chlorophenyl)piperazin-1-yl)methyl)-4H-1,4-benzoxazin-3-one

Supply Marketing:

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

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Chemical Property of 7-((4-(4-Chlorophenyl)piperazin-1-yl)methyl)-4H-1,4-benzoxazin-3-one

Chemical Property:

XLogP3:2.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:357.1244046
Heavy Atom Count:25
Complexity:462

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1CN(CCN1CC2=CC3=C(C=C2)NC(=O)CO3)C4=CC=C(C=C4)Cl

Technology Process of 7-((4-(4-Chlorophenyl)piperazin-1-yl)methyl)-4H-1,4-benzoxazin-3-one

There total 9 articles about 7-((4-(4-Chlorophenyl)piperazin-1-yl)methyl)-4H-1,4-benzoxazin-3-one 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: 50.0%

: 38212-33-8
4-(4-chlorophenyl) piperazine

: 253687-19-3
7-[[[(4-methylphenyl)sulfonyl]oxy]methyl]-4H-benz[1,4]oxazin-3-one

: 200195-01-3
7-[4-(4-Chloro-phenyl)-piperazin-1-ylmethyl]-4H-benzo[1,4]oxazin-3-one

Guidance literature:: With potassium carbonate; In acetonitrile; Heating;
DOI:10.1021/jm990277d

Reference yield:

: 704-13-2
5-formyl-2-nitrophenol

: 200195-01-3
7-[4-(4-Chloro-phenyl)-piperazin-1-ylmethyl]-4H-benzo[1,4]oxazin-3-one

Guidance literature:: Multi-step reaction with 8 steps

1: pTsOH / toluene / 12 h / Heating

2: H₂ / Raney-Ni / tetrahydrofuran

3: NaHCO₃ / tetrahydrofuran / 1.5 h / 20 °C

4: aq. HCl / methanol / 20 °C / pH 1

5: K₂CO₃ / acetonitrile / 20 °C

6: 76 percent / NaBH₄ / methanol / 1 h / 0 °C

7: piridine / 5 h / 0 °C

8: 50 percent / K₂CO₃ / acetonitrile / Heating

With pyridine; hydrogenchloride; sodium tetrahydroborate; hydrogen; sodium hydrogencarbonate; potassium carbonate; toluene-4-sulfonic acid; nickel; In tetrahydrofuran; methanol; toluene; acetonitrile; 1: cyclocondensation / 2: Catalytic hydrogenation / 3: Acetylation / 4: Hydrolysis / 5: Cyclization / 6: Reduction / 7: tosylation / 8: Substitution;
DOI:10.1021/jm990277d

Reference yield:

: 200195-16-0
2-(3-hydroxy-4-nitro-phenyl)-1,3-dioxane

: 200195-01-3
7-[4-(4-Chloro-phenyl)-piperazin-1-ylmethyl]-4H-benzo[1,4]oxazin-3-one

Guidance literature:: Multi-step reaction with 7 steps

1: H₂ / Raney-Ni / tetrahydrofuran

2: NaHCO₃ / tetrahydrofuran / 1.5 h / 20 °C

3: aq. HCl / methanol / 20 °C / pH 1

4: K₂CO₃ / acetonitrile / 20 °C

5: 76 percent / NaBH₄ / methanol / 1 h / 0 °C

6: piridine / 5 h / 0 °C

7: 50 percent / K₂CO₃ / acetonitrile / Heating

With pyridine; hydrogenchloride; sodium tetrahydroborate; hydrogen; sodium hydrogencarbonate; potassium carbonate; nickel; In tetrahydrofuran; methanol; acetonitrile; 1: Catalytic hydrogenation / 2: Acetylation / 3: Hydrolysis / 4: Cyclization / 5: Reduction / 6: tosylation / 7: Substitution;
DOI:10.1021/jm990277d