(S)-2-[(S)-2-(2-{2-[(S)-3-(4-Benzyloxy-phenyl)-2-(2,7-di-tert-butyl-10,10-dioxo-9,10-dihydro-10λ⁶-thioxanthen-9-ylmethoxycarbonylamino)-propionylamino]-acetylamino}-acetylamino)-3-phenyl-propionylamino]-4-methyl-pentanoic acid tert-butyl ester

Base Information

• Chemical Name: (S)-2-[(S)-2-(2-{2-[(S)-3-(4-Benzyloxy-phenyl)-2-(2,7-di-tert-butyl-10,10-dioxo-9,10-dihydro-10λ⁶-thioxanthen-9-ylmethoxycarbonylamino)-propionylamino]-acetylamino}-acetylamino)-3-phenyl-propionylamino]-4-methyl-pentanoic acid tert-butyl ester
• CAS No.: 123168-00-3
• Molecular Formula: C₆₂H₇₇N₅O₁₁S
• Molecular Weight: 1100.39

Synonyms:(S)-2-[(S)-2-(2-{2-[(S)-3-(4-Benzyloxy-phenyl)-2-(2,7-di-tert-butyl-10,10-dioxo-9,10-dihydro-10λ⁶-thioxanthen-9-ylmethoxycarbonylamino)-propionylamino]-acetylamino}-acetylamino)-3-phenyl-propionylamino]-4-methyl-pentanoic acid tert-butyl ester

Chemical Property of (S)-2-[(S)-2-(2-{2-[(S)-3-(4-Benzyloxy-phenyl)-2-(2,7-di-tert-butyl-10,10-dioxo-9,10-dihydro-10λ⁶-thioxanthen-9-ylmethoxycarbonylamino)-propionylamino]-acetylamino}-acetylamino)-3-phenyl-propionylamino]-4-methyl-pentanoic acid tert-butyl ester

Chemical Property:

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Technology Process of (S)-2-[(S)-2-(2-{2-[(S)-3-(4-Benzyloxy-phenyl)-2-(2,7-di-tert-butyl-10,10-dioxo-9,10-dihydro-10λ⁶-thioxanthen-9-ylmethoxycarbonylamino)-propionylamino]-acetylamino}-acetylamino)-3-phenyl-propionylamino]-4-methyl-pentanoic acid tert-butyl ester

There total 13 articles about (S)-2-[(S)-2-(2-{2-[(S)-3-(4-Benzyloxy-phenyl)-2-(2,7-di-tert-butyl-10,10-dioxo-9,10-dihydro-10λ⁶-thioxanthen-9-ylmethoxycarbonylamino)-propionylamino]-acetylamino}-acetylamino)-3-phenyl-propionylamino]-4-methyl-pentanoic 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: 41.0%

[(S)-2-(4-Benzyloxy-phenyl)-1-chlorocarbonyl-ethyl]-carbamic acid 2,7-di-tert-butyl-10,10-dioxo-9,10-dihydro-10λ6-thioxanthen-9-ylmethyl ester (123168-17-2) + Gly-Gly-Phe-Leu-OBut (77426-98-3) → (S)-2-[(S)-2-(2-{2-[(S)-3-(4-Benzyloxy-phenyl)-2-(2,7-di-tert-butyl-10,10-dioxo-9,10-dihydro-10λ6-thioxanthen-9-ylmethoxycarbonylamino)-propionylamino]-acetylamino}-acetylamino)-3-phenyl-propionylamino]-4-methyl-pentanoic acid tert-butyl ester (123168-00-3)

Guidance literature:

With sodium hydrogencarbonate; In dichloromethane; at 0 ℃; for 0.5h;

DOI:10.1021/jo00286a019

Reference yield:

diphenyl sulfide (139-66-2) → (S)-2-[(S)-2-(2-{2-[(S)-3-(4-Benzyloxy-phenyl)-2-(2,7-di-tert-butyl-10,10-dioxo-9,10-dihydro-10λ6-thioxanthen-9-ylmethoxycarbonylamino)-propionylamino]-acetylamino}-acetylamino)-3-phenyl-propionylamino]-4-methyl-pentanoic acid tert-butyl ester (123168-00-3)

Guidance literature:

Multi-step reaction with 8 steps

1: 80 percent / ferric chloride / CH₂Cl₂ / 72 h / Heating

2: 37 percent / tin(IV) chloride / CH₂Cl₂ / 12 h / Ambient temperature

3: 1.) n-butyllithium / 1.) THF, -75 deg C, 30 min, 2.) reflux, 30 min

4: 55 percent / 30percent H₂O₂, acetic acid / 4 h / 100 °C

5: 87 percent / tetrahydrofuran / 1.) 0 deg C, 2 h, 2.) room temperature, 4 h

6: 40 percent / 10percent aq. Na₂CO₃ / tetrahydrofuran / 2 h / 0 °C

7: 70 percent / thionyl chloride / CH₂Cl₂ / 0.5 h / Heating

8: 41 percent / 10percent aq. NaHCO₃ / CH₂Cl₂ / 0.5 h / 0 °C

With n-butyllithium; thionyl chloride; dihydrogen peroxide; iron(III) chloride; tin(IV) chloride; sodium hydrogencarbonate; sodium carbonate; acetic acid; In tetrahydrofuran; dichloromethane;

DOI:10.1021/jo00286a019

Reference yield:

bis(4-tert-butylphenyl) sulfide (52908-55-1) → (S)-2-[(S)-2-(2-{2-[(S)-3-(4-Benzyloxy-phenyl)-2-(2,7-di-tert-butyl-10,10-dioxo-9,10-dihydro-10λ6-thioxanthen-9-ylmethoxycarbonylamino)-propionylamino]-acetylamino}-acetylamino)-3-phenyl-propionylamino]-4-methyl-pentanoic acid tert-butyl ester (123168-00-3)

Guidance literature:

Multi-step reaction with 7 steps

1: 37 percent / tin(IV) chloride / CH₂Cl₂ / 12 h / Ambient temperature

2: 1.) n-butyllithium / 1.) THF, -75 deg C, 30 min, 2.) reflux, 30 min

3: 55 percent / 30percent H₂O₂, acetic acid / 4 h / 100 °C

4: 87 percent / tetrahydrofuran / 1.) 0 deg C, 2 h, 2.) room temperature, 4 h

5: 40 percent / 10percent aq. Na₂CO₃ / tetrahydrofuran / 2 h / 0 °C

6: 70 percent / thionyl chloride / CH₂Cl₂ / 0.5 h / Heating

7: 41 percent / 10percent aq. NaHCO₃ / CH₂Cl₂ / 0.5 h / 0 °C

With n-butyllithium; thionyl chloride; dihydrogen peroxide; tin(IV) chloride; sodium hydrogencarbonate; sodium carbonate; acetic acid; In tetrahydrofuran; dichloromethane;

DOI:10.1021/jo00286a019

upstream raw materials:

[(S)-2-(4-Benzyloxy-phenyl)-1-chlorocarbonyl-ethyl]-carbamic acid 2,7-di-tert-butyl-10,10-dioxo-9,10-dihydro-10λ⁶-thioxanthen-9-ylmethyl ester

Gly-Gly-Phe-Leu-OBu^t

thioxanthene

diphenyl sulfide

Downstream raw materials:

2,7-Di-tert-butyl-9-methyl-9H-thioxanthene 10,10-dioxide

(S)-2-[(S)-2-(2-{2-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-acetylamino}-acetylamino)-3-phenyl-propionylamino]-4-methyl-pentanoic acid tert-butyl ester

L-tyrosyl-glycyl-glycyl-L-phenylalanyl-L-leucine trifluoroacetate

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