Hexanoic acid, 3-[[[(3S)-hexahydro-1-[[5-(4-methoxyphenyl)-3-pyridinyl]methyl]-2-oxo-1 H-azepin-3-yl]amino]carbonyl]-5-methyl-2-propyl-, 1,1-dimethylethyl ester, (2S,3R)-

Base Information

Chemical Name:Hexanoic acid, 3-[[[(3S)-hexahydro-1-[[5-(4-methoxyphenyl)-3-pyridinyl]methyl]-2-oxo-1 H-azepin-3-yl]amino]carbonyl]-5-methyl-2-propyl-, 1,1-dimethylethyl ester, (2S,3R)-
CAS No.:258870-49-4
Molecular Formula:C₃₄H₄₉N₃O₅
Molecular Weight:579.78
Hs Code.:

Hexanoic acid,
3-[[[(3S)-hexahydro-1-[[5-(4-methoxyphenyl)-3-pyridinyl]methyl]-2-oxo-1
H-azepin-3-yl]amino]carbonyl]-5-methyl-2-propyl-, 1,1-dimethylethyl
ester, (2S,3R)-

Synonyms:

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Chemical Property of Hexanoic acid, 3-[[[(3S)-hexahydro-1-[[5-(4-methoxyphenyl)-3-pyridinyl]methyl]-2-oxo-1 H-azepin-3-yl]amino]carbonyl]-5-methyl-2-propyl-, 1,1-dimethylethyl ester, (2S,3R)-

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Technology Process of Hexanoic acid, 3-[[[(3S)-hexahydro-1-[[5-(4-methoxyphenyl)-3-pyridinyl]methyl]-2-oxo-1 H-azepin-3-yl]amino]carbonyl]-5-methyl-2-propyl-, 1,1-dimethylethyl ester, (2S,3R)-

There total 7 articles about Hexanoic acid, 3-[[[(3S)-hexahydro-1-[[5-(4-methoxyphenyl)-3-pyridinyl]methyl]-2-oxo-1 H-azepin-3-yl]amino]carbonyl]-5-methyl-2-propyl-, 1,1-dimethylethyl ester, (2S,3R)- 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:

: 148415-75-2
(2R,3S)-3-(tert-butoxycarbonyl)-2-isobutyl-5-hexenoic acid

: 258870-49-4
(2S,3R)-3-{(S)-1-[5-(4-Methoxy-phenyl)-pyridin-3-ylmethyl]-2-oxo-azepan-3-ylcarbamoyl}-5-methyl-2-propyl-hexanoic acid tert-butyl ester

Guidance literature:: Multi-step reaction with 3 steps

1: H₂ / Pd/C

2: HATU; NMM / dimethylformamide / 48 h / 50 °C

3: Pd(PPh₃)4; Na₂CO₃ / toluene; methanol / 16 h / Heating

With 4-methyl-morpholine; tetrakis(triphenylphosphine) palladium⁽⁰⁾; hydrogen; sodium carbonate; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate; palladium on activated charcoal; In methanol; N,N-dimethyl-formamide; toluene; 3: Suzuki coupling;
DOI:10.1016/j.bmcl.2006.01.055

Reference yield:

: 219615-42-6
2(R)-[1(S)-(tertbutoxycarbonyl)-butyl]-4-methyl-valeric acid

: 258870-49-4
(2S,3R)-3-{(S)-1-[5-(4-Methoxy-phenyl)-pyridin-3-ylmethyl]-2-oxo-azepan-3-ylcarbamoyl}-5-methyl-2-propyl-hexanoic acid tert-butyl ester

Guidance literature:: Multi-step reaction with 2 steps

1: HATU; NMM / dimethylformamide / 48 h / 50 °C

2: Pd(PPh₃)4; Na₂CO₃ / toluene; methanol / 16 h / Heating

With 4-methyl-morpholine; tetrakis(triphenylphosphine) palladium⁽⁰⁾; sodium carbonate; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate; In methanol; N,N-dimethyl-formamide; toluene; 2: Suzuki coupling;
DOI:10.1016/j.bmcl.2006.01.055

Reference yield:

: (S)-3-Amino-1-(5-bromo-pyridin-3-ylmethyl)-azepan-2-one

: 258870-49-4
(2S,3R)-3-{(S)-1-[5-(4-Methoxy-phenyl)-pyridin-3-ylmethyl]-2-oxo-azepan-3-ylcarbamoyl}-5-methyl-2-propyl-hexanoic acid tert-butyl ester

Guidance literature:: Multi-step reaction with 2 steps

1: HATU; NMM / dimethylformamide / 48 h / 50 °C

2: Pd(PPh₃)4; Na₂CO₃ / toluene; methanol / 16 h / Heating

With 4-methyl-morpholine; tetrakis(triphenylphosphine) palladium⁽⁰⁾; sodium carbonate; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate; In methanol; N,N-dimethyl-formamide; toluene; 2: Suzuki coupling;
DOI:10.1016/j.bmcl.2006.01.055