fluoropropanedioic acid,[4-[2-(acetylamino)-3-[[(3S)-1-[(1,1-biphenyl)-4-yl]methyl-hexahydro-2-oxo-1H-azepin-3-yl]amino]-3-oxo-1-propenyl]-2-(methoxycarbonyl)phenyl]-, bis(1,1-dimethylethyl) ester

Base Information

• Chemical Name: fluoropropanedioic acid,[4-[2-(acetylamino)-3-[[(3S)-1-[(1,1-biphenyl)-4-yl]methyl-hexahydro-2-oxo-1H-azepin-3-yl]amino]-3-oxo-1-propenyl]-2-(methoxycarbonyl)phenyl]-, bis(1,1-dimethylethyl) ester
• CAS No.: 871112-17-3
• Molecular Formula: C₄₃H₅₀FN₃O₉
• Molecular Weight: 771.883

Synonyms:fluoropropanedioic acid,[4-[2-(acetylamino)-3-[[(3S)-1-[(1,1-biphenyl)-4-yl]methyl-hexahydro-2-oxo-1H-azepin-3-yl]amino]-3-oxo-1-propenyl]-2-(methoxycarbonyl)phenyl]-, bis(1,1-dimethylethyl) ester

Chemical Property of fluoropropanedioic acid,[4-[2-(acetylamino)-3-[[(3S)-1-[(1,1-biphenyl)-4-yl]methyl-hexahydro-2-oxo-1H-azepin-3-yl]amino]-3-oxo-1-propenyl]-2-(methoxycarbonyl)phenyl]-, bis(1,1-dimethylethyl) ester

Chemical Property:

Purity/Quality:

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• Pictogram(s):  
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Technology Process of fluoropropanedioic acid,[4-[2-(acetylamino)-3-[[(3S)-1-[(1,1-biphenyl)-4-yl]methyl-hexahydro-2-oxo-1H-azepin-3-yl]amino]-3-oxo-1-propenyl]-2-(methoxycarbonyl)phenyl]-, bis(1,1-dimethylethyl) ester

There total 5 articles about fluoropropanedioic acid,[4-[2-(acetylamino)-3-[[(3S)-1-[(1,1-biphenyl)-4-yl]methyl-hexahydro-2-oxo-1H-azepin-3-yl]amino]-3-oxo-1-propenyl]-2-(methoxycarbonyl)phenyl]-, bis(1,1-dimethylethyl) 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: 67.0%

(2S)-amino-1-[[(1,1'-biphenyl)-4-yl]methyl]hexahydro-2H-azepin-2-one (361385-60-6) + fluoropropanedioic acid, 4-[2-(acetylamino)-2-carboxyethenyl]-2-(methoxycarbonyl)phenyl-, bis(1,1-dimethylethyl) ester (640735-73-5) → fluoropropanedioic acid,[4-[2-(acetylamino)-3-[[(3S)-1-[(1,1-biphenyl)-4-yl]methyl-hexahydro-2-oxo-1H-azepin-3-yl]amino]-3-oxo-1-propenyl]-2-(methoxycarbonyl)phenyl]-, bis(1,1-dimethylethyl) ester (871112-17-3)

Guidance literature:

With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine; In dichloromethane; N,N-dimethyl-formamide; at 20 ℃; for 5h;

DOI:10.1021/jm020970s

Reference yield:

Methyl 2-acetamidoacrylate (35356-70-8) → fluoropropanedioic acid,[4-[2-(acetylamino)-3-[[(3S)-1-[(1,1-biphenyl)-4-yl]methyl-hexahydro-2-oxo-1H-azepin-3-yl]amino]-3-oxo-1-propenyl]-2-(methoxycarbonyl)phenyl]-, bis(1,1-dimethylethyl) ester (871112-17-3)

Guidance literature:

Multi-step reaction with 3 steps

1: 18 percent / triethylamine; Pd(OAc)2; tri-o-tolylphosphine / acetonitrile / 17 h / Heating

2: aq. lithium hydroxide / tetrahydrofuran / 18 h / 20 °C

3: 67 percent / 1-(3-dimethylaminopropyl)-3-ethylcarbodiimide hydrochloride; 1-hydroxybenzotriazole; N,N-diisopropylethylamine / dimethylformamide; CH₂Cl₂ / 5 h / 20 °C

With palladium diacetate; lithium hydroxide; benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine; N-ethyl-N,N-diisopropylamine; tris-(o-tolyl)phosphine; In tetrahydrofuran; dichloromethane; N,N-dimethyl-formamide; acetonitrile; 1: Heck reaction;

DOI:10.1021/jm020970s

Reference yield:

2-(4-iodo-2-methoxycarbonylphenyl)propanedioic acid, 1,3-bis(1,1-dimethylethyl)ester (439904-24-2) → fluoropropanedioic acid,[4-[2-(acetylamino)-3-[[(3S)-1-[(1,1-biphenyl)-4-yl]methyl-hexahydro-2-oxo-1H-azepin-3-yl]amino]-3-oxo-1-propenyl]-2-(methoxycarbonyl)phenyl]-, bis(1,1-dimethylethyl) ester (871112-17-3)

Guidance literature:

Multi-step reaction with 4 steps

1.1: potassium hexamethyldisilazide / tetrahydrofuran / 1 h / -70 °C

1.2: 83.7 percent / N-fluorobenzenesulfonimide / tetrahydrofuran / -70 - 20 °C

2.1: 18 percent / triethylamine; Pd(OAc)2; tri-o-tolylphosphine / acetonitrile / 17 h / Heating

3.1: aq. lithium hydroxide / tetrahydrofuran / 18 h / 20 °C

4.1: 67 percent / 1-(3-dimethylaminopropyl)-3-ethylcarbodiimide hydrochloride; 1-hydroxybenzotriazole; N,N-diisopropylethylamine / dimethylformamide; CH₂Cl₂ / 5 h / 20 °C

With palladium diacetate; lithium hydroxide; potassium hexamethylsilazane; benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine; N-ethyl-N,N-diisopropylamine; tris-(o-tolyl)phosphine; In tetrahydrofuran; dichloromethane; N,N-dimethyl-formamide; acetonitrile; 2.1: Heck reaction;

DOI:10.1021/jm020970s

upstream raw materials:

(2S)-amino-1-[[(1,1'-biphenyl)-4-yl]methyl]hexahydro-2H-azepin-2-one

fluoropropanedioic acid, 4-[2-(acetylamino)-2-carboxyethenyl]-2-(methoxycarbonyl)phenyl-, bis(1,1-dimethylethyl) ester

Methyl 2-acetamidoacrylate

2-(4-iodo-2-methoxycarbonylphenyl)propanedioic acid, 1,3-bis(1,1-dimethylethyl)ester

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