methyl 4-{2-[((2S)-2-{[N-(tert-butoxycarbonyl)-L-leucyl]amino}-4,4-difluorobutanoyl)amino]-ethyl}-3-chlorobenzoate

Base Information

Chemical Name:methyl 4-{2-[((2S)-2-{[N-(tert-butoxycarbonyl)-L-leucyl]amino}-4,4-difluorobutanoyl)amino]-ethyl}-3-chlorobenzoate
CAS No.:484648-99-9
Molecular Formula:C₂₅H₃₆ClF₂N₃O₆
Molecular Weight:548.027
Hs Code.:

Synonyms:methyl 4-{2-[((2S)-2-{[N-(tert-butoxycarbonyl)-L-leucyl]amino}-4,4-difluorobutanoyl)amino]-ethyl}-3-chlorobenzoate

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Chemical Property of methyl 4-{2-[((2S)-2-{[N-(tert-butoxycarbonyl)-L-leucyl]amino}-4,4-difluorobutanoyl)amino]-ethyl}-3-chlorobenzoate

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Technology Process of methyl 4-{2-[((2S)-2-{[N-(tert-butoxycarbonyl)-L-leucyl]amino}-4,4-difluorobutanoyl)amino]-ethyl}-3-chlorobenzoate

There total 4 articles about methyl 4-{2-[((2S)-2-{[N-(tert-butoxycarbonyl)-L-leucyl]amino}-4,4-difluorobutanoyl)amino]-ethyl}-3-chlorobenzoate 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%

: 13139-15-6,53296-34-7
N-tert-butoxycarbonyl-L-leucine

: 484648-97-7
4-(2-{[(2S)-2-amino-4,4-difluorobutanoyl]amino}ethyl)-3-chlorobenzoate

: 484648-99-9
methyl 4-{2-[((2S)-2-{[N-(tert-butoxycarbonyl)-L-leucyl]amino}-4,4-difluorobutanoyl)amino]-ethyl}-3-chlorobenzoate

Guidance literature:: With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In dichloromethane; N,N-dimethyl-formamide; at 20 ℃;
DOI:10.1021/jm025594q

Reference yield:

: methyl-(3-chloro-4-(2-aminoethyl))benzoate hydrochloride

: 484648-99-9
methyl 4-{2-[((2S)-2-{[N-(tert-butoxycarbonyl)-L-leucyl]amino}-4,4-difluorobutanoyl)amino]-ethyl}-3-chlorobenzoate

Guidance literature:: Multi-step reaction with 3 steps

1: EDCI; HOBt; DIPEA / CH₂Cl₂ / 20 °C

2: 98 percent / trifluoromethanesulfonic acid / CH₂Cl₂ / 0.08 h / 20 °C

3: 65 percent / 1-[3-(dimethylamino)propyl]-3-Etcarbodiimide hydrochloride; 1-hydroxybenzotriazole / CH₂Cl₂; dimethylformamide / 20 °C

With trifluorormethanesulfonic acid; benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine; In dichloromethane; N,N-dimethyl-formamide;
DOI:10.1021/jm025594q

Reference yield:

: 56525-63-4
methyl 3-chloro-4-methyl-benzoate

: 484648-99-9
methyl 4-{2-[((2S)-2-{[N-(tert-butoxycarbonyl)-L-leucyl]amino}-4,4-difluorobutanoyl)amino]-ethyl}-3-chlorobenzoate

Guidance literature:: Multi-step reaction with 6 steps

1: 6.24 g / N-bromosuccinimide; dibenzoyl peroxide / CCl₄ / 2 h / Heating

2: 15 percent / acetonitrile / 0.17 h / 0 °C

3: 60 percent / NaBH₄; HCl; CoCl₂*6H₂O / methanol / 0 °C

4: EDCI; HOBt; DIPEA / CH₂Cl₂ / 20 °C

5: 98 percent / trifluoromethanesulfonic acid / CH₂Cl₂ / 0.08 h / 20 °C

6: 65 percent / 1-[3-(dimethylamino)propyl]-3-Etcarbodiimide hydrochloride; 1-hydroxybenzotriazole / CH₂Cl₂; dimethylformamide / 20 °C

With hydrogenchloride; sodium tetrahydroborate; N-Bromosuccinimide; trifluorormethanesulfonic acid; benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine; cobalt(II) chloride; dibenzoyl peroxide; In methanol; tetrachloromethane; dichloromethane; N,N-dimethyl-formamide; acetonitrile;
DOI:10.1021/jm025594q