Butanoic acid, 4-chloro-3-[[(9H-fluoren-9-ylMethoxy)carbonyl]aMino]-4-oxo-, Methyl ester, (3S)-

Base Information

• Chemical Name: Butanoic acid, 4-chloro-3-[[(9H-fluoren-9-ylMethoxy)carbonyl]aMino]-4-oxo-, Methyl ester, (3S)-
• CAS No.: 596095-91-9
• Molecular Formula: C20H18ClNO5
• Molecular Weight: 387.82
• Mol file: 596095-91-9.mol

Synonyms:Butanoic acid, 4-chloro-3-[[(9H-fluoren-9-ylMethoxy)carbonyl]aMino]-4-oxo-, Methyl ester, (3S)-

Chemical Property of Butanoic acid, 4-chloro-3-[[(9H-fluoren-9-ylMethoxy)carbonyl]aMino]-4-oxo-, Methyl ester, (3S)-

Chemical Property:

• Boiling Point: 572.4±50.0 °C(Predicted)
• PKA: 9.50±0.46(Predicted)
• Density: 1.323±0.06 g/cm3(Predicted)

Purity/Quality:

≥95% ^*data from raw suppliers

Safty Information:

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Technology Process of Butanoic acid, 4-chloro-3-[[(9H-fluoren-9-ylMethoxy)carbonyl]aMino]-4-oxo-, Methyl ester, (3S)-

There total 1 articles about Butanoic acid, 4-chloro-3-[[(9H-fluoren-9-ylMethoxy)carbonyl]aMino]-4-oxo-, Methyl ester, (3S)- 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:

(S)-2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-4-methoxy-4-oxobutanoic acid (145038-53-5) → methyl (3S)-4-chloro-3-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-4-oxobutanoate (596095-91-9)

Guidance literature:

With thionyl chloride; In dichloromethane; for 1h; Inert atmosphere; Reflux;

DOI:10.1021/ol5026684

Reference yield: 90.0%

methyl (3S)-4-chloro-3-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-4-oxobutanoate (596095-91-9) + [2-amino-5-(methyloxy)phenyl](4-chlorophenyl)methanone (91713-54-1) → methyl N1-[2-[(4-chlorophenyl)carbonyl]-4-(methyloxy)phenyl]-N2-{[(9H-fluoren-9-ylmethyl)oxy]carbonyl}-L-α-asparaginate (1300019-48-0)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In dichloromethane; at 20 ℃; for 5h;

Reference yield: 86.0%

methyl (3S)-4-chloro-3-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-4-oxobutanoate (596095-91-9) + (2-amino-5-(methoxy-d3)phenyl)(4-chlorophenyl)methanone → methyl (S)-3-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-4-((2-(4-chlorobenzoyl)-4-(methoxy-d3)phenyl)amino)-4-oxobutanoate

Guidance literature:

at 60 ℃; for 2h;

upstream raw materials:

(S)-2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-4-methoxy-4-oxobutanoic acid

Downstream raw materials:

methyl N¹-[2-[(4-chlorophenyl)carbonyl]-4-(methyloxy)phenyl]-N²-{[(9H-fluoren-9-ylmethyl)oxy]carbonyl}-L-α-asparaginate

(S)-methyl 2-(5-(4-chlorophenyl)-7-methoxy-2-oxo-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)acetate

(S)-methyl 2-(5-(4-chlorophenyl)-7-methoxy-2-thioxo-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)acetate

methyl 2-[(3S,2Z)-2-(acetylhydrazono)-5-(4-chlorophenyl)-7-(methyloxy)-1,3-dihydro-1,4-benzodiazepin-3-yl]acetate

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