5-HT2 antagonist 1

Base Information

Chemical Name:5-HT2 antagonist 1
CAS No.:191592-09-3
Molecular Formula:C₂₂H₂₉FN₄O₂
Molecular Weight:400.496
Hs Code.:
UNII:LEV29G9Q9T
Nikkaji Number:J1.299.819H

Synonyms:5-HT2 antagonist 1;191592-09-3;LEV29G9Q9T;Sun-C5174(undefined isomer);UNII-LEV29G9Q9T;5-(3-(4-(4-Fluorophenyl)-1-piperazinyl)propyl)-5,6,7,8-tetrahydro-8-hydroxy-1-methylpyrrolo(3,2-C)azepin-4(1H)-one;5-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-8-hydroxy-1-methyl-7,8-dihydro-6H-pyrrolo[3,2-c]azepin-4-one;Pyrrolo(3,2-C)azepin-4(1H)-one, 5-(3-(4-(4-fluorophenyl)-1-piperazinyl)propyl)-5,6,7,8-tetrahydro-8-hydroxy-1-methyl-;SCHEMBL6622904;HY-U00365;AKOS040735925;CS-7425;1-Methyl-5-[3-[4-(4-fluorophenyl)piperazino]propyl]-8-hydroxy-1,4,5,6,7,8-hexahydropyrrolo[3,2-c]azepine-4-one

Suppliers and Price of 5-HT2 antagonist 1

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
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price

Total 3 raw suppliers

Chemical Property of 5-HT2 antagonist 1

Chemical Property:

XLogP3:1.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:400.22745434
Heavy Atom Count:29
Complexity:549

Purity/Quality:: 95% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CN1C=CC2=C1C(CCN(C2=O)CCCN3CCN(CC3)C4=CC=C(C=C4)F)O

Technology Process of 5-HT2 antagonist 1

There total 13 articles about 5-HT2 antagonist 1 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: 89.0%

: 191591-86-3
5-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-1-methyl-1,4,5,6,7,8-hexahydropyrrolo[3,2-c]azepine-4,8-dione

: 191592-09-3,191592-36-6
5-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-8-hydroxy-1-methyl-1,4,5,6,7,8-hexahydropyrrolo[3,2-c]azepin-4-one

Guidance literature:: With sodium tetrahydroborate; In ethanol; at 0 - 20 ℃; for 17h;
DOI:10.1248/cpb.48.623

Reference yield: 61.0%

5-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-8-hydroxy-1,3-dimethyl-1,4,5,6,7,8-hexahydropyrrolo[3,2-c3]azepin-4-one: 5-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-8-hydroxy-1,3-dimethyl-1,4,5,6,7,8-hexahydropyrrolo[3,2-c3]azepin-4-one

: 191592-09-3,191592-36-6
5-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-8-hydroxy-1-methyl-1,4,5,6,7,8-hexahydropyrrolo[3,2-c]azepin-4-one

Guidance literature:

Reference yield:

: 36929-61-0
1-methyl-pyrrole-3-carboxylic acid

: 191592-09-3,191592-36-6
5-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-8-hydroxy-1-methyl-1,4,5,6,7,8-hexahydropyrrolo[3,2-c]azepin-4-one

Guidance literature:: Multi-step reaction with 6 steps

1.1: 90 percent / DEPC; Et₃N / dimethylformamide / 16 h / 20 °C

2.1: 95 percent / H₂ / 10 percent Pd/C / tetrahydrofuran / 21 h / 20 °C

3.1: 63 percent / 80 percent PPA / 1.17 h / 100 - 120 °C

4.1: t-BuOK / tetrahydrofuran / 1 h / 0 °C

4.2: 33 percent / tetrahydrofuran / 93 h / 20 °C

5.1: 100 percent / K₂CO₃; NaI / acetonitrile / 38 h / Heating

6.1: 89 percent / NaBH₄ / ethanol / 17 h / 0 - 20 °C

With sodium tetrahydroborate; potassium tert-butylate; hydrogen; potassium carbonate; triethylamine; diethyl dicarbonate; sodium iodide; palladium on activated charcoal; In tetrahydrofuran; ethanol; N,N-dimethyl-formamide; acetonitrile; 1.1: Condensation / 2.1: Hydrogenolysis / 3.1: Cyclization / 4.1: Metallation / 5.1: Alkylation / 6.1: Reduction;
DOI:10.1248/cpb.48.623