(S)-3-((3R,4R)-4-Benzyloxy-3-{(S)-3-[(S)-3-tert-butoxycarbonylamino-4-(1H-indol-3-yl)-butyrylamino]-4-phenyl-butyrylamino}-pentanoylamino)-7-(2-chloro-benzyloxycarbonylamino)-heptanoic acid pentafluorophenyl ester

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Chemical Name:(S)-3-((3R,4R)-4-Benzyloxy-3-{(S)-3-[(S)-3-tert-butoxycarbonylamino-4-(1H-indol-3-yl)-butyrylamino]-4-phenyl-butyrylamino}-pentanoylamino)-7-(2-chloro-benzyloxycarbonylamino)-heptanoic acid pentafluorophenyl ester
CAS No.:267007-68-1
Molecular Formula:C₆₀H₆₆ClF₅N₆O₁₀
Molecular Weight:1161.66
Hs Code.:

(S)-3-((3R,4R)-4-Benzyloxy-3-{(S)-3-[(S)-3-tert-butoxycarbonylamino-4-(1H-indol-3-yl)-butyrylamino]-4-phenyl-butyrylamino}-pentanoylamino)-7-(2-chloro-benzyloxycarbonylamino)-heptanoic acid pentafluorophenyl ester

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Chemical Property of (S)-3-((3R,4R)-4-Benzyloxy-3-{(S)-3-[(S)-3-tert-butoxycarbonylamino-4-(1H-indol-3-yl)-butyrylamino]-4-phenyl-butyrylamino}-pentanoylamino)-7-(2-chloro-benzyloxycarbonylamino)-heptanoic acid pentafluorophenyl ester

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Technology Process of (S)-3-((3R,4R)-4-Benzyloxy-3-{(S)-3-[(S)-3-tert-butoxycarbonylamino-4-(1H-indol-3-yl)-butyrylamino]-4-phenyl-butyrylamino}-pentanoylamino)-7-(2-chloro-benzyloxycarbonylamino)-heptanoic acid pentafluorophenyl ester

There total 2 articles about (S)-3-((3R,4R)-4-Benzyloxy-3-{(S)-3-[(S)-3-tert-butoxycarbonylamino-4-(1H-indol-3-yl)-butyrylamino]-4-phenyl-butyrylamino}-pentanoylamino)-7-(2-chloro-benzyloxycarbonylamino)-heptanoic acid pentafluorophenyl ester 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:

: 771-61-9
2,3,4,5,6-pentafluorophenol

: (S)-3-((3R,4R)-4-Benzyloxy-3-{(S)-3-[(S)-3-tert-butoxycarbonylamino-4-(1H-indol-3-yl)-butyrylamino]-4-phenyl-butyrylamino}-pentanoylamino)-7-(2-chloro-benzyloxycarbonylamino)-heptanoic acid

: 267007-68-1
(S)-3-((3R,4R)-4-Benzyloxy-3-{(S)-3-[(S)-3-tert-butoxycarbonylamino-4-(1H-indol-3-yl)-butyrylamino]-4-phenyl-butyrylamino}-pentanoylamino)-7-(2-chloro-benzyloxycarbonylamino)-heptanoic acid pentafluorophenyl ester

Guidance literature:: With 4 A molecular sieve; N-(3-dimethylaminopropyl)-N-ethylcarbodiimide; In chloroform; N,N-dimethyl-formamide; at 20 ℃;
DOI:10.1002/(SICI)1522-2675(20000119)83:1<16::AID-HLCA16>3.0.CO;2-3

Reference yield:

: 229639-52-5
Boc-β³-HTrp-β³-HPhe-β³-HThr(OBn)-β³-HLys(N^ε-2Cl-Z)-OMe

: 267007-68-1
(S)-3-((3R,4R)-4-Benzyloxy-3-{(S)-3-[(S)-3-tert-butoxycarbonylamino-4-(1H-indol-3-yl)-butyrylamino]-4-phenyl-butyrylamino}-pentanoylamino)-7-(2-chloro-benzyloxycarbonylamino)-heptanoic acid pentafluorophenyl ester

Guidance literature:: Multi-step reaction with 2 steps

1: NaOH / 2,2,2-trifluoro-ethanol; H₂O / 20 - 45 °C

2: EDC; Molecular sieves 4 Angstroem / dimethylformamide; CHCl₃ / 20 °C

With sodium hydroxide; 4 A molecular sieve; N-(3-dimethylaminopropyl)-N-ethylcarbodiimide; In chloroform; 2,2,2-trifluoroethanol; water; N,N-dimethyl-formamide; 1: Hydrolysis / 2: Esterification;
DOI:10.1002/(SICI)1522-2675(20000119)83:1<16::AID-HLCA16>3.0.CO;2-3

Reference yield:

: 267007-68-1
(S)-3-((3R,4R)-4-Benzyloxy-3-{(S)-3-[(S)-3-tert-butoxycarbonylamino-4-(1H-indol-3-yl)-butyrylamino]-4-phenyl-butyrylamino}-pentanoylamino)-7-(2-chloro-benzyloxycarbonylamino)-heptanoic acid pentafluorophenyl ester

: cyclo(β³-HTrp-β³-HPhe-β³-HThr-β³-HLys)

Guidance literature:: Multi-step reaction with 3 steps

1: trifluoroacetic acid; CH₂Cl₂; various solvent(s) / 0.17 h / 0 °C

2: EtN(i-Pr)2 / acetonitrile / 18 h / 70 °C

3: 9 percent / LiCl / Pd/C / tetrahydrofuran

With N-ethyl-N,N-diisopropylamine; lithium chloride; palladium on activated charcoal; In tetrahydrofuran; dichloromethane; acetonitrile; trifluoroacetic acid; 1: Elimination / 2: Cyclization / 3: Hydrogenolysis;
DOI:10.1002/(SICI)1522-2675(20000119)83:1<16::AID-HLCA16>3.0.CO;2-3