(1-Benzo[1,3]dioxol-5-yl-1,3,4,9-tetrahydro-beta-carbolin-2-yl)-[5-(3-trifluoromethyl-phenyl)-furan-2-yl]-methanone

Base Information

Chemical Name:(1-Benzo[1,3]dioxol-5-yl-1,3,4,9-tetrahydro-beta-carbolin-2-yl)-[5-(3-trifluoromethyl-phenyl)-furan-2-yl]-methanone
CAS No.:374633-43-9
Molecular Formula:C₃₀H₂₁F₃N₂O₄
Molecular Weight:530.503
Hs Code.:
ChEMBL ID:CHEMBL164755
DSSTox Substance ID:DTXSID101104575
Nikkaji Number:J1.861.636J
Pharos Ligand ID:BDDQH61TRTDC

Synonyms:CHEMBL164755;(1-Benzo[1,3]dioxol-5-yl-1,3,4,9-tetrahydro-beta-carbolin-2-yl)-[5-(3-trifluoromethyl-phenyl)-furan-2-yl]-methanone;SCHEMBL6291222;DTXSID101104575;BDBM50125144;374633-43-9;[1-(1,3-Benzodioxol-5-yl)-1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indol-2-yl][5-[3-(trifluoromethyl)phenyl]-2-furanyl]methanone;1-(3,4-Methylenedioxyphenyl)-2-[5-(3-trifluoromethylphenyl)furoyl]-2,3,4,9-tetrahydro-1H-beta-carboline

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

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Chemical Property of (1-Benzo[1,3]dioxol-5-yl-1,3,4,9-tetrahydro-beta-carbolin-2-yl)-[5-(3-trifluoromethyl-phenyl)-furan-2-yl]-methanone

Chemical Property:

XLogP3:6.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:3
Exact Mass:530.14534164
Heavy Atom Count:39
Complexity:904

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1CN(C(C2=C1C3=CC=CC=C3N2)C4=CC5=C(C=C4)OCO5)C(=O)C6=CC=C(O6)C7=CC(=CC=C7)C(F)(F)F

Technology Process of (1-Benzo[1,3]dioxol-5-yl-1,3,4,9-tetrahydro-beta-carbolin-2-yl)-[5-(3-trifluoromethyl-phenyl)-furan-2-yl]-methanone

There total 5 articles about (1-Benzo[1,3]dioxol-5-yl-1,3,4,9-tetrahydro-beta-carbolin-2-yl)-[5-(3-trifluoromethyl-phenyl)-furan-2-yl]-methanone 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: 92.0%

: 54022-99-0
5-(3-trifluoromethylphenyl)furan-2-carboxylic acid

: 120908-70-5,125707-25-7
1-(3,4-methylenedioxyphenyl)-2,3,4,9-tetrahydro-1H-β-carboline

: 374633-43-9
(1-benzo[1,3]dioxol-5-yl-1,3,4,9-tetrahydro-β-carbolin-2-yl)-[5-(3-trifluoromethyl-phenyl)-furan-2-yl]-methanone

Guidance literature:: With N-ethyl-N,N-diisopropylamine; bromo-tris(1-pyrrolidinyl)phosphonium hexafluorophosphate; In N,N-dimethyl-formamide; at 25 ℃; for 16h;
DOI:10.1021/ol0271279

Reference yield:

: 54022-99-0
5-(3-trifluoromethylphenyl)furan-2-carboxylic acid

: 79-37-8
oxalyl dichloride

: 120908-70-5,125707-25-7
1-(3,4-methylenedioxyphenyl)-2,3,4,9-tetrahydro-1H-β-carboline

: 374633-43-9
(1-benzo[1,3]dioxol-5-yl-1,3,4,9-tetrahydro-β-carbolin-2-yl)-[5-(3-trifluoromethyl-phenyl)-furan-2-yl]-methanone

Guidance literature:: With triethylamine; In 4-(dicyanomethylene)-2-methyl-6-(p-dimethylaminostyryl)-4H-pyran; N,N-dimethyl-formamide;

Reference yield:

: 61-54-1
tryptamine

: 374633-43-9
(1-benzo[1,3]dioxol-5-yl-1,3,4,9-tetrahydro-β-carbolin-2-yl)-[5-(3-trifluoromethyl-phenyl)-furan-2-yl]-methanone

Guidance literature:: Multi-step reaction with 2 steps

1: TFA / CH₂Cl₂

2: TEA / CH₂Cl₂

With TEA; trifluoroacetic acid; In dichloromethane;
DOI:10.1016/S0960-894X(02)01036-3