N₁-[(1S)-2,2-dimethyl-1-({[(1R)-1-phenylethyl]amino}carbonyl)propyl]-(2R)-2-{3-[3-methyl-(4-phenyl)phenyl]propyl}-(N₄-3-propenyloxy)butanediamide

Base Information

• Chemical Name: N₁-[(1S)-2,2-dimethyl-1-({[(1R)-1-phenylethyl]amino}carbonyl)propyl]-(2R)-2-{3-[3-methyl-(4-phenyl)phenyl]propyl}-(N₄-3-propenyloxy)butanediamide
• CAS No.: 230961-45-2
• Molecular Formula: C₃₇H₄₇N₃O₄
• Molecular Weight: 597.798

Synonyms:N₁-[(1S)-2,2-dimethyl-1-({[(1R)-1-phenylethyl]amino}carbonyl)propyl]-(2R)-2-{3-[3-methyl-(4-phenyl)phenyl]propyl}-(N₄-3-propenyloxy)butanediamide

Chemical Property of N₁-[(1S)-2,2-dimethyl-1-({[(1R)-1-phenylethyl]amino}carbonyl)propyl]-(2R)-2-{3-[3-methyl-(4-phenyl)phenyl]propyl}-(N₄-3-propenyloxy)butanediamide

Chemical Property:

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Safty Information:

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Technology Process of N₁-[(1S)-2,2-dimethyl-1-({[(1R)-1-phenylethyl]amino}carbonyl)propyl]-(2R)-2-{3-[3-methyl-(4-phenyl)phenyl]propyl}-(N₄-3-propenyloxy)butanediamide

There total 13 articles about N₁-[(1S)-2,2-dimethyl-1-({[(1R)-1-phenylethyl]amino}carbonyl)propyl]-(2R)-2-{3-[3-methyl-(4-phenyl)phenyl]propyl}-(N₄-3-propenyloxy)butanediamide 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: 60.0%

O-allylhydroxylamine hydrochloride + (3R)-3-({[(1S)-2,2-dimethyl-1-({[(1R)-1-phenylethyl]amino}carbonyl)propyl]amino}carbonyl)-6-[(3-methyl-4-phenyl)phenyl]hexanoic acid (230961-06-5) → N1-[(1S)-2,2-dimethyl-1-({[(1R)-1-phenylethyl]amino}carbonyl)propyl]-(2R)-2-{3-[3-methyl-(4-phenyl)phenyl]propyl}-(N4-3-propenyloxy)butanediamide (230961-45-2)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; ((3H-[1,2,3]triazolo[4,5-b]pyridin-3-yl)oxy)tri(pyrrolidin-1-yl)phosphonium hexafluorophosphate(V); In N,N-dimethyl-formamide; at 0 - 20 ℃; for 4.25h;

Reference yield:

3-methyl-4-phenylbromobenzene (5002-26-6) → N1-[(1S)-2,2-dimethyl-1-({[(1R)-1-phenylethyl]amino}carbonyl)propyl]-(2R)-2-{3-[3-methyl-(4-phenyl)phenyl]propyl}-(N4-3-propenyloxy)butanediamide (230961-45-2)

Guidance literature:

Multi-step reaction with 4 steps

1: 5 mol percent Pd(OAc)2*2P(o-tol)3; Et₃N / dimethylformamide / 100 °C

2: H₂ / 10 percent Pd/C / ethanol / 20 °C / 2250.18 Torr

3: HCl gas / CH₂Cl₂ / 0 °C

4: N-ethyl-N'-dimethylaminopropylcarbodiimide; 7-aza-1-hydroxy-1,2,3-benzotriazole; Et₃N / CH₂Cl₂ / 18 h / 0 - 20 °C

With hydrogenchloride; 1-hydroxy-7-aza-benzotriazole; Pd(OAc)2[P(2-tolyl)3]2; hydrogen; N-(3-dimethylaminopropyl)-N-ethylcarbodiimide; triethylamine; palladium on activated charcoal; In ethanol; dichloromethane; N,N-dimethyl-formamide; 1: Heck reaction;

DOI:10.1016/S0960-894X(00)00720-4

Reference yield:

(R)-2-(2-(tert-butoxy)-2-oxoethyl)pent-4-enoic acid (179533-97-2) → N1-[(1S)-2,2-dimethyl-1-({[(1R)-1-phenylethyl]amino}carbonyl)propyl]-(2R)-2-{3-[3-methyl-(4-phenyl)phenyl]propyl}-(N4-3-propenyloxy)butanediamide (230961-45-2)

Guidance literature:

Multi-step reaction with 5 steps

1: N-ethyl-N'-dimethylaminopropylcarbodiimide; 7-aza-1-hydroxy-1,2,3-benzotriazole; N-methylmorpholine / CH₂Cl₂ / 18 h / 0 - 20 °C

2: 5 mol percent Pd(OAc)2*2P(o-tol)3; Et₃N / dimethylformamide / 100 °C

3: H₂ / 10 percent Pd/C / ethanol / 20 °C / 2250.18 Torr

4: HCl gas / CH₂Cl₂ / 0 °C

5: N-ethyl-N'-dimethylaminopropylcarbodiimide; 7-aza-1-hydroxy-1,2,3-benzotriazole; Et₃N / CH₂Cl₂ / 18 h / 0 - 20 °C

With 4-methyl-morpholine; hydrogenchloride; 1-hydroxy-7-aza-benzotriazole; Pd(OAc)2[P(2-tolyl)3]2; hydrogen; N-(3-dimethylaminopropyl)-N-ethylcarbodiimide; triethylamine; palladium on activated charcoal; In ethanol; dichloromethane; N,N-dimethyl-formamide; 2: Heck reaction;

DOI:10.1016/S0960-894X(00)00720-4

upstream raw materials:

O-Allylhydroxylamine

(3R)-3-({[(1S)-2,2-dimethyl-1-({[(1R)-1-phenylethyl]amino}carbonyl)propyl]amino}carbonyl)-6-[(3-methyl-4-phenyl)phenyl]hexanoic acid

3-methyl-4-phenylbromobenzene

(R)-2-(2-(tert-butoxy)-2-oxoethyl)pent-4-enoic acid

Downstream raw materials:

UK-356618

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