Butanoic acid, 4-[[3-(4-chlorobenzoyl)-4,5-diMethyl-2-thienyl]aMino]-3-[[(9H-fluoren-9-ylMethoxy)carbonyl]aMino]-4-oxo-, 1,1-diMethylethyl ester, (3S)-

Base Information

• Chemical Name: Butanoic acid, 4-[[3-(4-chlorobenzoyl)-4,5-diMethyl-2-thienyl]aMino]-3-[[(9H-fluoren-9-ylMethoxy)carbonyl]aMino]-4-oxo-, 1,1-diMethylethyl ester, (3S)-
• CAS No.: 1268524-65-7
• Molecular Formula: C₃₆H₃₅ClN₂O₆S
• Molecular Weight: 659.203
• Mol file: 1268524-65-7.mol

Synonyms:(S)-tert-butyl 3-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-4-((3-(4-chlorobenzoyl)-4,5-dimethylthiophen-2-yl)amino)-4-oxobutanoate

Chemical Property of Butanoic acid, 4-[[3-(4-chlorobenzoyl)-4,5-diMethyl-2-thienyl]aMino]-3-[[(9H-fluoren-9-ylMethoxy)carbonyl]aMino]-4-oxo-, 1,1-diMethylethyl ester, (3S)-

Chemical Property:

• Boiling Point: 834.5±65.0 °C(Predicted)
• PKA: 10.00±0.46(Predicted)
• Density: 1.299±0.06 g/cm3(Predicted)

Purity/Quality:

99% ^*data from raw suppliers

Tert-butyl4-[[3-(4-chlorobenzoyl)-4,5-dimethylthiophen-2-yl]amino]-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxobutanoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of Butanoic acid, 4-[[3-(4-chlorobenzoyl)-4,5-diMethyl-2-thienyl]aMino]-3-[[(9H-fluoren-9-ylMethoxy)carbonyl]aMino]-4-oxo-, 1,1-diMethylethyl ester, (3S)-

There total 5 articles about Butanoic acid, 4-[[3-(4-chlorobenzoyl)-4,5-diMethyl-2-thienyl]aMino]-3-[[(9H-fluoren-9-ylMethoxy)carbonyl]aMino]-4-oxo-, 1,1-diMethylethyl 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: 75.0%

(2-amino-4,5-dimethylthiophen-3-yl)(4-chlorophenyl)methanone (50508-66-2) + Fmoc-Asp-O-t-Bu (129460-09-9,134098-70-7) → (S)-tert-butyl 3-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-4-((3-(4-chlorobenzoyl)-4,5-dimethylthiophen-2-yl)amino)-4-oxobutanoate (1268524-65-7)

Guidance literature:

With O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; N-ethyl-N,N-diisopropylamine; In N,N-dimethyl-formamide; at 20 ℃; for 24h;

DOI:10.1002/ange.201915896

Reference yield:

p-chlorobenzoylacetonitrile (4640-66-8) → (S)-tert-butyl 3-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-4-((3-(4-chlorobenzoyl)-4,5-dimethylthiophen-2-yl)amino)-4-oxobutanoate (1268524-65-7)

Guidance literature:

Multi-step reaction with 2 steps

1: morpholine; sulfur / ethanol / 12 h / 23 - 70 °C

2: N-ethyl-N,N-diisopropylamine; 6-chloro-3-((dimethylamino)(dimethyliminio)methyl)-1H-benzo[d][1,2,3]triazol-3-ium-1-olatehexafluorophosphate(V) / N,N-dimethyl-formamide / 16 h / 23 °C

With morpholine; 6-chloro-3-((dimethylamino)(dimethyliminio)methyl)-1H-benzo[d][1,2,3]triazol-3-ium-1-olatehexafluorophosphate(V); sulfur; N-ethyl-N,N-diisopropylamine; In ethanol; N,N-dimethyl-formamide;

Reference yield:

(2-amino-4,5-dimethylthiophen-3-yl)(4-chlorophenyl)methanone (50508-66-2) + 4-(tert-butoxy)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-4-oxobutanoic acid → (S)-tert-butyl 3-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-4-((3-(4-chlorobenzoyl)-4,5-dimethylthiophen-2-yl)amino)-4-oxobutanoate (1268524-65-7) + tert-butyl (R)-3-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-4-((3-(4-chlorobenzoyl)-4,5-dimethylthiophen-2-yl)amino)-4-oxobutanoate

Guidance literature:

With benzotriazol-1-ol; O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; In dichloromethane; at 25 ℃; for 47h; Reagent/catalyst; Solvent; Overall yield = 81.18 %Chromat.; Inert atmosphere;

upstream raw materials:

p-chlorobenzoylacetonitrile

para-Chlorobenzyl alcohol

(2-amino-4,5-dimethylthiophen-3-yl)(4-chlorophenyl)methanone

Fmoc-Asp-O-t-Bu

Downstream raw materials:

(S)-tert-butyl-3-amino-4-((3-(4-chlorobenzoyl)-4,5-dimethylthiophen-2-yl)amino)-4-oxobutanoate

tert-butyl (S)-2-(5-(4-chlorophenyl)-6,7-dimethyl-2-oxo-2,3-dihydro-1H-thieno[2,3-e][1,4]diazepin-3-yl)acetate

(S)-tert-butyl 2-(4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)acetate

(-)-JQ₁