[1-((13S)-{2-[(4-acetylamino-benzenesulfonyl)-(3-methylbutyl)-amino]-(1R)-hydroxy-ethyl}-(10S)-butyl-8,11-dioxo-2-oxa-9,12-diaza-bicyclo[13.2.2]nonadeca-1⁽¹⁸⁾,15⁽¹⁹⁾,16-trien-(7S)-ylcarbamoyl)-(2S)-hydroxy-ethyl]-carbamic acid tert-butyl ester

Base Information

• Chemical Name: [1-((13S)-{2-[(4-acetylamino-benzenesulfonyl)-(3-methylbutyl)-amino]-(1R)-hydroxy-ethyl}-(10S)-butyl-8,11-dioxo-2-oxa-9,12-diaza-bicyclo[13.2.2]nonadeca-1⁽¹⁸⁾,15⁽¹⁹⁾,16-trien-(7S)-ylcarbamoyl)-(2S)-hydroxy-ethyl]-carbamic acid tert-butyl ester
• CAS No.: 398526-33-5
• Molecular Formula: C₄₃H₆₆N₆O₁₁S
• Molecular Weight: 875.097

Synonyms:[1-((13S)-{2-[(4-acetylamino-benzenesulfonyl)-(3-methylbutyl)-amino]-(1R)-hydroxy-ethyl}-(10S)-butyl-8,11-dioxo-2-oxa-9,12-diaza-bicyclo[13.2.2]nonadeca-1⁽¹⁸⁾,15⁽¹⁹⁾,16-trien-(7S)-ylcarbamoyl)-(2S)-hydroxy-ethyl]-carbamic acid tert-butyl ester

Chemical Property of [1-((13S)-{2-[(4-acetylamino-benzenesulfonyl)-(3-methylbutyl)-amino]-(1R)-hydroxy-ethyl}-(10S)-butyl-8,11-dioxo-2-oxa-9,12-diaza-bicyclo[13.2.2]nonadeca-1⁽¹⁸⁾,15⁽¹⁹⁾,16-trien-(7S)-ylcarbamoyl)-(2S)-hydroxy-ethyl]-carbamic acid tert-butyl ester

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Technology Process of [1-((13S)-{2-[(4-acetylamino-benzenesulfonyl)-(3-methylbutyl)-amino]-(1R)-hydroxy-ethyl}-(10S)-butyl-8,11-dioxo-2-oxa-9,12-diaza-bicyclo[13.2.2]nonadeca-1⁽¹⁸⁾,15⁽¹⁹⁾,16-trien-(7S)-ylcarbamoyl)-(2S)-hydroxy-ethyl]-carbamic acid tert-butyl ester

There total 12 articles about [1-((13S)-{2-[(4-acetylamino-benzenesulfonyl)-(3-methylbutyl)-amino]-(1R)-hydroxy-ethyl}-(10S)-butyl-8,11-dioxo-2-oxa-9,12-diaza-bicyclo[13.2.2]nonadeca-1⁽¹⁸⁾,15⁽¹⁹⁾,16-trien-(7S)-ylcarbamoyl)-(2S)-hydroxy-ethyl]-carbamic acid tert-butyl 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: 52.0%

(S)-N-(tert-butoxycarbonyl)serine (3262-72-4) + N-{4-[[(R)-2-((7S,10S,13S)-7-Amino-10-butyl-8,11-dioxo-2-oxa-9,12-diaza-bicyclo[13.2.2]nonadeca-1(18),15(19),16-trien-13-yl)-2-hydroxy-ethyl]-(3-methyl-butyl)-sulfamoyl]-phenyl}-acetamide → [1-((13S)-{2-[(4-acetylamino-benzenesulfonyl)-(3-methylbutyl)-amino]-(1R)-hydroxy-ethyl}-(10S)-butyl-8,11-dioxo-2-oxa-9,12-diaza-bicyclo[13.2.2]nonadeca-1(18),15(19),16-trien-(7S)-ylcarbamoyl)-(2S)-hydroxy-ethyl]-carbamic acid tert-butyl ester (398526-33-5)

Guidance literature:

With O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; N-ethyl-N,N-diisopropylamine; In tetrahydrofuran; at 20 ℃; for 0.5h;

DOI:10.1021/jm010414i

Reference yield:

(7S,10S,13S)-7-tert-Butoxycarbonylamino-10-butyl-8,11-dioxo-2-oxa-9,12-diaza-bicyclo[13.2.2]nonadeca-1(18),15(19),16-triene-13-carboxylic acid methyl ester → [1-((13S)-{2-[(4-acetylamino-benzenesulfonyl)-(3-methylbutyl)-amino]-(1R)-hydroxy-ethyl}-(10S)-butyl-8,11-dioxo-2-oxa-9,12-diaza-bicyclo[13.2.2]nonadeca-1(18),15(19),16-trien-(7S)-ylcarbamoyl)-(2S)-hydroxy-ethyl]-carbamic acid tert-butyl ester (398526-33-5)

Guidance literature:

Multi-step reaction with 10 steps

1: 55 percent / aq. NaOH / methanol / 1 h / 0 °C

2: N-methylmorpholine / tetrahydrofuran / 0.25 h / -15 °C

3: tetrahydrofuran; diethyl ether / 0.5 h

4: 90 percent / HBr / ethyl acetate; tetrahydrofuran / -10 °C

5: 51 percent / NaBH₄ / ethanol / 0.08 h / -15 °C

6: 93 percent / NaOMe / tetrahydrofuran; methanol / 0.25 h / 20 °C

7: 85 percent / DIPEA / ethanol / Heating

8: 55 percent / DIPEA / tetrahydrofuran; H₂O / 0.5 h / 20 °C

9: TFA / 1 h / 20 °C

10: 52 percent / HBTU; DIPEA / tetrahydrofuran / 0.5 h / 20 °C

With 4-methyl-morpholine; sodium hydroxide; sodium tetrahydroborate; hydrogen bromide; sodium methylate; O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; N-ethyl-N,N-diisopropylamine; trifluoroacetic acid; In tetrahydrofuran; methanol; diethyl ether; ethanol; water; ethyl acetate;

DOI:10.1021/jm010414i

Reference yield:

(7S)-tert-butoxycarbonylamino-(10S)-butyl-8,11-dioxo-2-oxa-9,12-diaza-bicyclo[13.2.2]nonadeca-1(18),15(19),16-triene-(13S)-carboxylic acid (398526-21-1) → [1-((13S)-{2-[(4-acetylamino-benzenesulfonyl)-(3-methylbutyl)-amino]-(1R)-hydroxy-ethyl}-(10S)-butyl-8,11-dioxo-2-oxa-9,12-diaza-bicyclo[13.2.2]nonadeca-1(18),15(19),16-trien-(7S)-ylcarbamoyl)-(2S)-hydroxy-ethyl]-carbamic acid tert-butyl ester (398526-33-5)

Guidance literature:

Multi-step reaction with 9 steps

1: N-methylmorpholine / tetrahydrofuran / 0.25 h / -15 °C

2: tetrahydrofuran; diethyl ether / 0.5 h

3: 90 percent / HBr / ethyl acetate; tetrahydrofuran / -10 °C

4: 51 percent / NaBH₄ / ethanol / 0.08 h / -15 °C

5: 93 percent / NaOMe / tetrahydrofuran; methanol / 0.25 h / 20 °C

6: 85 percent / DIPEA / ethanol / Heating

7: 55 percent / DIPEA / tetrahydrofuran; H₂O / 0.5 h / 20 °C

8: TFA / 1 h / 20 °C

9: 52 percent / HBTU; DIPEA / tetrahydrofuran / 0.5 h / 20 °C

With 4-methyl-morpholine; sodium tetrahydroborate; hydrogen bromide; sodium methylate; O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; N-ethyl-N,N-diisopropylamine; trifluoroacetic acid; In tetrahydrofuran; methanol; diethyl ether; ethanol; water; ethyl acetate;

DOI:10.1021/jm010414i

upstream raw materials:

(S)-N-(tert-butoxycarbonyl)serine

(7S)-tert-butoxycarbonylamino-(10S)-butyl-8,11-dioxo-2-oxa-9,12-diaza-bicyclo[13.2.2]nonadeca-1⁽¹⁸⁾,15⁽¹⁹⁾,16-triene-(13S)-carboxylic acid

((13S)-{2-[(4-acetylamino-benzenesulfonyl)-(3-methylbutyl)-amino]-(1R)-hydroxy-ethyl}-(10S)-butyl-8,11-dioxo-2-oxa-9,12-diaza-bicyclo[13.2.2]nonadeca-1⁽¹⁸⁾,15⁽¹⁹⁾,16-trien-(7S)-yl)-carbamic acid tert-butyl ester

L-Tyr-OMe

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