2,2,2-Trifluoro-1-{6-hydroxy-1-[4-(2-pyrrolidin-1-yl-ethoxy)phenyl]-3,4-dihydro-1H-isoquinolin-2-yl}ethanone

Base Information

Chemical Name:2,2,2-Trifluoro-1-{6-hydroxy-1-[4-(2-pyrrolidin-1-yl-ethoxy)phenyl]-3,4-dihydro-1H-isoquinolin-2-yl}ethanone
CAS No.:347977-96-2
Molecular Formula:C23H25F3N2O3
Molecular Weight:434.458
Hs Code.:
ChEMBL ID:CHEMBL89994
DSSTox Substance ID:DTXSID001109322

Synonyms:CHEMBL89994;2,2,2-Trifluoro-1-{6-hydroxy-1-[4-(2-pyrrolidin-1-yl-ethoxy)phenyl]-3,4-dihydro-1H-isoquinolin-2-yl}ethanone;SCHEMBL6715362;DTXSID001109322;BDBM50146202;347977-96-2;1-[3,4-Dihydro-6-hydroxy-1-[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]-2(1H)-isoquinolinyl]-2,2,2-trifluoroethanone;2,2,2-Trifluoro-1-{6-hydroxy-1-[4-(2-pyrrolidin-1-yl-ethoxy)phenyl]-3,4-dihydro-1H-isoquinolin-2yl}ethanone

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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 2,2,2-Trifluoro-1-{6-hydroxy-1-[4-(2-pyrrolidin-1-yl-ethoxy)phenyl]-3,4-dihydro-1H-isoquinolin-2-yl}ethanone

Chemical Property:

XLogP3:4.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:5
Exact Mass:434.18172715
Heavy Atom Count:31
Complexity:603

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1CCN(C1)CCOC2=CC=C(C=C2)C3C4=C(CCN3C(=O)C(F)(F)F)C=C(C=C4)O

Technology Process of 2,2,2-Trifluoro-1-{6-hydroxy-1-[4-(2-pyrrolidin-1-yl-ethoxy)phenyl]-3,4-dihydro-1H-isoquinolin-2-yl}ethanone

There total 8 articles about 2,2,2-Trifluoro-1-{6-hydroxy-1-[4-(2-pyrrolidin-1-yl-ethoxy)phenyl]-3,4-dihydro-1H-isoquinolin-2-yl}ethanone 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: 31.0%

: 347977-92-8
2,2,2-trifluoro-1-{6-methoxy-1-[4-(2-pyrrolidin-1-yl-ethoxy)phenyl]-3,4-dihydro-1H-isoquinolin-2-yl}ethanone

: 347977-96-2
2,2,2-trifluoro-1-{6-hydroxy-1-[4-(2-pyrrolidin-1-yl-ethoxy)phenyl]-3,4-dihydro-1H-isoquinolin-2-yl}ethanone

Guidance literature:: With boron tribromide; In methanol; dichloromethane;

Reference yield:

: 347974-48-5
4-benzyloxy-N-[2-(3-methoxyphenyl)ethyl]benzamide

: 347977-96-2
2,2,2-trifluoro-1-{6-hydroxy-1-[4-(2-pyrrolidin-1-yl-ethoxy)phenyl]-3,4-dihydro-1H-isoquinolin-2-yl}ethanone

Guidance literature:: Multi-step reaction with 6 steps

1.1: POCl₃ / Heating

2.1: NaBH₄ / methanol

3.1: Et₃N / CH₂Cl₂ / 0 °C

4.1: H₂ / Pd/C / ethanol / 2275.45 Torr

5.1: NaH / dimethylformamide

5.2: dimethylformamide / 100 °C

6.1: BBr₃ / CH₂Cl₂ / 0 °C

With sodium tetrahydroborate; hydrogen; boron tribromide; sodium hydride; triethylamine; trichlorophosphate; palladium on activated charcoal; In methanol; ethanol; dichloromethane; N,N-dimethyl-formamide; 1.1: Bischler-Napieralski cyclization;
DOI:10.1016/j.bmcl.2004.03.077

Reference yield:

: 347974-65-6
1-(4-benzyloxyphenyl)-6-methoxy-3,4-dihydroisoquinoline

: 347977-96-2
2,2,2-trifluoro-1-{6-hydroxy-1-[4-(2-pyrrolidin-1-yl-ethoxy)phenyl]-3,4-dihydro-1H-isoquinolin-2-yl}ethanone

Guidance literature:: Multi-step reaction with 5 steps

1.1: NaBH₄ / methanol

2.1: Et₃N / CH₂Cl₂ / 0 °C

3.1: H₂ / Pd/C / ethanol / 2275.45 Torr

4.1: NaH / dimethylformamide

4.2: dimethylformamide / 100 °C

5.1: BBr₃ / CH₂Cl₂ / 0 °C

With sodium tetrahydroborate; hydrogen; boron tribromide; sodium hydride; triethylamine; palladium on activated charcoal; In methanol; ethanol; dichloromethane; N,N-dimethyl-formamide;
DOI:10.1016/j.bmcl.2004.03.077