(R)-3-[4-(5-{1-[2-(2-tert-butoxycarbonylamino-4-methyl-pentanoylamino)acetyl]-piperidin-4-yl}-1-methyl-1H-pyrazol-3-yl)-2,3-dichloro-phenoxymethyl]benzoic acid allyl ester

Base Information

Chemical Name:(R)-3-[4-(5-{1-[2-(2-tert-butoxycarbonylamino-4-methyl-pentanoylamino)acetyl]-piperidin-4-yl}-1-methyl-1H-pyrazol-3-yl)-2,3-dichloro-phenoxymethyl]benzoic acid allyl ester
CAS No.:515846-46-5
Molecular Formula:C₃₉H₄₉Cl₂N₅O₇
Molecular Weight:770.753
Hs Code.:

(R)-3-[4-(5-{1-[2-(2-tert-butoxycarbonylamino-4-methyl-pentanoylamino)acetyl]-piperidin-4-yl}-1-methyl-1H-pyrazol-3-yl)-2,3-dichloro-phenoxymethyl]benzoic acid allyl ester

Synonyms:(R)-3-[4-(5-{1-[2-(2-tert-butoxycarbonylamino-4-methyl-pentanoylamino)acetyl]-piperidin-4-yl}-1-methyl-1H-pyrazol-3-yl)-2,3-dichloro-phenoxymethyl]benzoic acid allyl ester

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Chemical Property of (R)-3-[4-(5-{1-[2-(2-tert-butoxycarbonylamino-4-methyl-pentanoylamino)acetyl]-piperidin-4-yl}-1-methyl-1H-pyrazol-3-yl)-2,3-dichloro-phenoxymethyl]benzoic acid allyl ester

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Technology Process of (R)-3-[4-(5-{1-[2-(2-tert-butoxycarbonylamino-4-methyl-pentanoylamino)acetyl]-piperidin-4-yl}-1-methyl-1H-pyrazol-3-yl)-2,3-dichloro-phenoxymethyl]benzoic acid allyl ester

There total 16 articles about (R)-3-[4-(5-{1-[2-(2-tert-butoxycarbonylamino-4-methyl-pentanoylamino)acetyl]-piperidin-4-yl}-1-methyl-1H-pyrazol-3-yl)-2,3-dichloro-phenoxymethyl]benzoic acid allyl 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: 90.0%

: 225122-54-3
3-chloromethyl-benzoic acid allyl ester

: 515846-36-3
(R)-[1-(2-{4-[5-(2,3-dichloro-4-hydroxy-phenyl)-2-methyl-2H-pyrazol-3-yl]-piperidin-1-yl}-2-oxo-ethylcarbamoyl)-3-methyl-butyl]-carbamic acid tert-butyl ester

: 515846-46-5
(R)-3-[4-(5-{1-[2-(2-tert-butoxycarbonylamino-4-methyl-pentanoylamino)acetyl]-piperidin-4-yl}-1-methyl-1H-pyrazol-3-yl)-2,3-dichloro-phenoxymethyl]benzoic acid allyl ester

Guidance literature:: With caesium carbonate; In N,N-dimethyl-formamide; at 70 ℃; for 3h;
DOI:10.1021/ja034247i

Reference yield:

: 576-24-9
2,3-dichlorophenol

: 515846-46-5
(R)-3-[4-(5-{1-[2-(2-tert-butoxycarbonylamino-4-methyl-pentanoylamino)acetyl]-piperidin-4-yl}-1-methyl-1H-pyrazol-3-yl)-2,3-dichloro-phenoxymethyl]benzoic acid allyl ester

Guidance literature:: Multi-step reaction with 8 steps

1.1: 53 percent / bromine / CH₂Cl₂ / 2 h

2.1: triethylamine / tetrahydrofuran / 1 h / 20 °C

3.1: n-butyllithium / tetrahydrofuran; hexane / 0.17 h / -78 °C

3.2: 6.65 g / tetrahydrofuran; hexane / -78 - 20 °C

4.1: oxalyl chloride; DMF / CH₂Cl₂ / 0.17 h

5.1: CuI; PdCl₂(PPh₃)2; triethylamine / toluene

6.1: 7.0 g / ethanol / 1.5 h / 20 °C

7.1: 90 percent / tetrabutylammonium fluoride / tetrahydrofuran / 0.5 h

8.1: 807 mg / Cs₂CO₃ / dimethylformamide / 3 h / 70 °C

With bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; n-butyllithium; oxalyl dichloride; tetrabutyl ammonium fluoride; bromine; caesium carbonate; triethylamine; N,N-dimethyl-formamide; In tetrahydrofuran; ethanol; hexane; dichloromethane; N,N-dimethyl-formamide; toluene; 5.1: Mitsunobu reaction;
DOI:10.1021/jm049967u

Reference yield:

: 31719-77-4
3-chloromethylbenzoic acid

: 515846-46-5
(R)-3-[4-(5-{1-[2-(2-tert-butoxycarbonylamino-4-methyl-pentanoylamino)acetyl]-piperidin-4-yl}-1-methyl-1H-pyrazol-3-yl)-2,3-dichloro-phenoxymethyl]benzoic acid allyl ester

Guidance literature:: Multi-step reaction with 2 steps

1: EDC; DMAP / CH₂Cl₂ / 2 h / 20 °C

2: 807 mg / Cs₂CO₃ / dimethylformamide / 3 h / 70 °C

With dmap; caesium carbonate; N-(3-dimethylaminopropyl)-N-ethylcarbodiimide; In dichloromethane; N,N-dimethyl-formamide;
DOI:10.1021/jm049967u