(1''R,2'R,3R,4S,6S)-3,4,6-trimethyl-8-[methyl-(2'-methylbutyryl)amino]octanoic acid (1''-benzylsulfanylmethylallyl)amide

Base Information

Chemical Name:(1''R,2'R,3R,4S,6S)-3,4,6-trimethyl-8-[methyl-(2'-methylbutyryl)amino]octanoic acid (1''-benzylsulfanylmethylallyl)amide
CAS No.:619328-42-6
Molecular Formula:C₂₈H₄₆N₂O₂S
Molecular Weight:474.751
Hs Code.:

Synonyms:(1''R,2'R,3R,4S,6S)-3,4,6-trimethyl-8-[methyl-(2'-methylbutyryl)amino]octanoic acid (1''-benzylsulfanylmethylallyl)amide

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Chemical Property of (1''R,2'R,3R,4S,6S)-3,4,6-trimethyl-8-[methyl-(2'-methylbutyryl)amino]octanoic acid (1''-benzylsulfanylmethylallyl)amide

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Technology Process of (1''R,2'R,3R,4S,6S)-3,4,6-trimethyl-8-[methyl-(2'-methylbutyryl)amino]octanoic acid (1''-benzylsulfanylmethylallyl)amide

There total 28 articles about (1''R,2'R,3R,4S,6S)-3,4,6-trimethyl-8-[methyl-(2'-methylbutyryl)amino]octanoic acid (1''-benzylsulfanylmethylallyl)amide 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: 65.0%

: 320742-83-4
(2'R,3R,4S,6S)-3,4,6-trimethyl-8-[methyl-2'-(methylbutyryl)amino]octanoic acid

: 619328-40-4
benzyl (R)-2-amino-3-butenyl sulfide

: 619328-42-6
(1''R,2'R,3R,4S,6S)-3,4,6-trimethyl-8-[methyl-(2'-methylbutyryl)amino]octanoic acid (1''-benzylsulfanylmethylallyl)amide

Guidance literature:: (2'R,3R,4S,6S)-3,4,6-trimethyl-8-[methyl-2'-(methylbutyryl)amino]octanoic acid; With O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate; triethylamine; In acetonitrile; at 0 ℃; for 0.0833333h;

benzyl (R)-2-amino-3-butenyl sulfide; In tetrahydrofuran; acetonitrile; at 0 - 20 ℃; for 0.5h;
DOI:10.1021/ja512875g

Reference yield:

: 96154-47-1
(R)-2-methyl-1,4-butanediol 4-benzyl ether

: 619328-42-6
(1''R,2'R,3R,4S,6S)-3,4,6-trimethyl-8-[methyl-(2'-methylbutyryl)amino]octanoic acid (1''-benzylsulfanylmethylallyl)amide

Guidance literature:: Multi-step reaction with 13 steps

1.1: 74 percent / NBS; PPh₃ / CH₂Cl₂ / 0.17 h / 20 °C

2.1: 100 percent / H₂ / Pd(OH)2 / ethyl acetate / 2 h

3.1: 85 percent / oxalyl chloride; DMSO; Et₃N / CH₂Cl₂ / 0.75 h / -78 - 0 °C

4.1: Na₂SO₄ / methanol; tetrahydrofuran / 0.33 h / 20 °C

5.1: 0.314 g / NaCNBH₃ / methanol / 1 h / 20 °C

6.1: 84 percent / 1-hydroxy-7-azabenzotriazole; 1-(3-dimethylaminopropyl)-3-ethylcarbodiimide hydrochloride; (i-Pr)2NEt / dimethylformamide / 12 h / 20 °C

7.1: 80 percent / LiBH₄ / tetrahydrofuran; methanol / 0.83 h / 0 - 20 °C

8.1: oxalyl chloride; DMSO; NEt₃ / CH₂Cl₂ / 0.75 h / -78 - -10 °C

9.1: n-BuLi / tetrahydrofuran; hexane / 0.5 h / 20 °C

9.2: 0.086 g / tetrahydrofuran; hexane / 0.5 h / -20 °C

10.1: aq. HCl / acetonitrile / 1 h

11.1: 0.083 g / 2-methyl-2-butene; aq. NaClO₂; NaH₂PO₄ / methanol / 2 h / 20 °C

12.1: 0.122 g / O-(7-azabenzotriazol-1-yl)-N,N,N',N'-tetramethyluronium*PF₆; DIPEA / CH₂Cl₂ / 12 h / 20 °C

With hydrogenchloride; sodium chlorite; sodium dihydrogenphosphate; N-Bromosuccinimide; lithium borohydride; n-butyllithium; 1-hydroxy-7-aza-benzotriazole; 2-methyl-but-2-ene; oxalyl dichloride; hydrogen; sodium cyanoborohydride; dimethyl sulfoxide; sodium sulfate; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine; N-ethyl-N,N-diisopropylamine; triphenylphosphine; HATU; palladium dihydroxide; In tetrahydrofuran; methanol; hexane; dichloromethane; ethyl acetate; N,N-dimethyl-formamide; acetonitrile; 4.1: Swern oxidation / 9.1: Swern oxidation;
DOI:10.1039/b404205k

Reference yield:

: 619328-34-6
(4S,2'S,3'S,5'S)-3-(7'-benzyloxy-2',3',5'-trimethylheptanoyl)-4-phenyloxazolidin-2-one

: 619328-42-6
(1''R,2'R,3R,4S,6S)-3,4,6-trimethyl-8-[methyl-(2'-methylbutyryl)amino]octanoic acid (1''-benzylsulfanylmethylallyl)amide

Guidance literature:: Multi-step reaction with 11 steps

1.1: 100 percent / H₂ / Pd(OH)2 / ethyl acetate / 2 h

2.1: 85 percent / oxalyl chloride; DMSO; Et₃N / CH₂Cl₂ / 0.75 h / -78 - 0 °C

3.1: Na₂SO₄ / methanol; tetrahydrofuran / 0.33 h / 20 °C

4.1: 0.314 g / NaCNBH₃ / methanol / 1 h / 20 °C

5.1: 84 percent / 1-hydroxy-7-azabenzotriazole; 1-(3-dimethylaminopropyl)-3-ethylcarbodiimide hydrochloride; (i-Pr)2NEt / dimethylformamide / 12 h / 20 °C

6.1: 80 percent / LiBH₄ / tetrahydrofuran; methanol / 0.83 h / 0 - 20 °C

7.1: oxalyl chloride; DMSO; NEt₃ / CH₂Cl₂ / 0.75 h / -78 - -10 °C

8.1: n-BuLi / tetrahydrofuran; hexane / 0.5 h / 20 °C

8.2: 0.086 g / tetrahydrofuran; hexane / 0.5 h / -20 °C

9.1: aq. HCl / acetonitrile / 1 h

10.1: 0.083 g / 2-methyl-2-butene; aq. NaClO₂; NaH₂PO₄ / methanol / 2 h / 20 °C

11.1: 0.122 g / O-(7-azabenzotriazol-1-yl)-N,N,N',N'-tetramethyluronium*PF₆; DIPEA / CH₂Cl₂ / 12 h / 20 °C

With hydrogenchloride; sodium chlorite; sodium dihydrogenphosphate; lithium borohydride; n-butyllithium; 1-hydroxy-7-aza-benzotriazole; 2-methyl-but-2-ene; oxalyl dichloride; hydrogen; sodium cyanoborohydride; dimethyl sulfoxide; sodium sulfate; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine; N-ethyl-N,N-diisopropylamine; HATU; palladium dihydroxide; In tetrahydrofuran; methanol; hexane; dichloromethane; ethyl acetate; N,N-dimethyl-formamide; acetonitrile; 2.1: Swern oxidation / 7.1: Swern oxidation;
DOI:10.1039/b404205k