N-[(1S,2R)-1-[(3,5-Difluorophenyl)methyl]-3-[[(4S)-6-(2,2-dimethylpropyl)-3,4-dihydro-2H-1-benzopyran-4-yl]amino]-2-hydroxypropyl]acetamide

Base Information Edit

Chemical Name:N-[(1S,2R)-1-[(3,5-Difluorophenyl)methyl]-3-[[(4S)-6-(2,2-dimethylpropyl)-3,4-dihydro-2H-1-benzopyran-4-yl]amino]-2-hydroxypropyl]acetamide
CAS No.:676134-02-4
Molecular Formula:C26H34F2N2O3
Molecular Weight:460.564
Hs Code.:
DSSTox Substance ID:DTXSID701101329
Pharos Ligand ID:HH66DX9CFZQ8
ChEMBL ID:CHEMBL2408737
Mol file:676134-02-4.mol

Synonyms:CHEMBL2408737;SCHEMBL3167737;DTXSID701101329;BDBM50438357;676134-02-4;N-[(1S,2R)-1-[(3,5-Difluorophenyl)methyl]-3-[[(4S)-6-(2,2-dimethylpropyl)-3,4-dihydro-2H-1-benzopyran-4-yl]amino]-2-hydroxypropyl]acetamide

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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 N-[(1S,2R)-1-[(3,5-Difluorophenyl)methyl]-3-[[(4S)-6-(2,2-dimethylpropyl)-3,4-dihydro-2H-1-benzopyran-4-yl]amino]-2-hydroxypropyl]acetamide Edit

Chemical Property:

XLogP3:4.9
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:9
Exact Mass:460.25374927
Heavy Atom Count:33
Complexity:619

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC(=O)NC(CC1=CC(=CC(=C1)F)F)C(CNC2CCOC3=C2C=C(C=C3)CC(C)(C)C)O
Isomeric SMILES:CC(=O)N[C@@H](CC1=CC(=CC(=C1)F)F)[C@@H](CN[C@H]2CCOC3=C2C=C(C=C3)CC(C)(C)C)O

Technology Process of N-[(1S,2R)-1-[(3,5-Difluorophenyl)methyl]-3-[[(4S)-6-(2,2-dimethylpropyl)-3,4-dihydro-2H-1-benzopyran-4-yl]amino]-2-hydroxypropyl]acetamide

There total 13 articles about N-[(1S,2R)-1-[(3,5-Difluorophenyl)methyl]-3-[[(4S)-6-(2,2-dimethylpropyl)-3,4-dihydro-2H-1-benzopyran-4-yl]amino]-2-hydroxypropyl]acetamide 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: 38.0%

: 676133-64-5
N-((1S,2R)-1-(3,5-difluorobenzyl)-2-hydroxy-3-{[(4S)-6-iodo-3,4-dihydro-2H-chromen-4-yl]amino}propyl)acetamide

: 116212-82-9
ZnCl(neopentyl)

: 676134-02-4
N-((1S,2R)-1-(3,5-difluorobenzyl)-2-hydroxy-3-{[(4S)-6-neopentyl-3,4-dihydro-2H-chromen-4-yl]amino}propyl)acetamide

Guidance literature:: N-((1S,2R)-1-(3,5-difluorobenzyl)-2-hydroxy-3-{[(4S)-6-iodo-3,4-dihydro-2H-chromen-4-yl]amino}propyl)acetamide; ZnCl(neopentyl); (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; In tetrahydrofuran;

With polymer supported SO₃H; In tetrahydrofuran; methanol;

With ammonia; In methanol; Product distribution / selectivity;

Reference yield:

: 2466-76-4
N-Acetylimidazole

: 676134-02-4
N-((1S,2R)-1-(3,5-difluorobenzyl)-2-hydroxy-3-{[(4S)-6-neopentyl-3,4-dihydro-2H-chromen-4-yl]amino}propyl)acetamide

Guidance literature:: tert-butyl (1S,2R)-1-(3,5-difluorobenzyl)-2-hydroxy-3-{[(4S)-6-neopentyl-3,4-dihydro-2H-chromen-4-yl]amino}propylcarbamate; With water; trifluoroacetic acid; In dichloromethane; at 20 ℃; for 0.5h;

N-Acetylimidazole; With triethylamine; In dichloromethane; at 0 - 20 ℃; for 12h; Product distribution / selectivity;