(2S)-[[N-(tert-Butoxycarbonyl)-N-methyl-L-alanyl]amino](cyclohexyl)ethanoic acid

Base Information

• Chemical Name: (2S)-[[N-(tert-Butoxycarbonyl)-N-methyl-L-alanyl]amino](cyclohexyl)ethanoic acid
• CAS No.: 894789-27-6
• Molecular Formula: C17H30N2O5
• Molecular Weight: 342.436
• Mol file: 894789-27-6.mol

Synonyms:Cyclohexaneacetic acid, α-[[(2S)-2-[[(1,1-dimethylethoxy)carbonyl]methylamino]-1-oxopropyl]amino]-, (αS)-;Glycine, N-[(1,1-dimethylethoxy)carbonyl]-N-methyl-L-alanyl-2-cyclohexyl-, (2S)- (9CI);

Chemical Property of (2S)-[[N-(tert-Butoxycarbonyl)-N-methyl-L-alanyl]amino](cyclohexyl)ethanoic acid

Chemical Property:

• PSA: 95.94000
• LogP: 2.78240

Purity/Quality:

99% ^*data from raw suppliers

(2S)-[[N-(tert-Butoxycarbonyl)-N-methyl-L-alanyl]amino](cyclohexyl)ethanoicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of (2S)-[[N-(tert-Butoxycarbonyl)-N-methyl-L-alanyl]amino](cyclohexyl)ethanoic acid

There total 8 articles about (2S)-[[N-(tert-Butoxycarbonyl)-N-methyl-L-alanyl]amino](cyclohexyl)ethanoic acid 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: 95.0%

methyl (2S)-2-[(2S)-2-{[(tert-butoxy)carbonyl](methyl)amino}propanamido]-2-cyclohexylacetate (912338-14-8) → (2S)-2-[(2S)-2-[[(tert-butoxy)carbonyl](methyl)amino]propanamido]-2-cyclohexylacetic acid (894789-27-6)

Guidance literature:

With water; lithium hydroxide; In tetrahydrofuran; at 0 - 20 ℃; for 1h; Inert atmosphere;

Reference yield: 92.0%

C18H32N2O5*ClH → (2S)-2-[(2S)-2-[[(tert-butoxy)carbonyl](methyl)amino]propanamido]-2-cyclohexylacetic acid (894789-27-6)

Guidance literature:

C₁₈H₃₂N₂O₅*ClH; With lithium hydroxide; water; In tetrahydrofuran; at 0 - 25 ℃; for 1h;

With citric acid;

Reference yield: 43.0%

N-(tert-butoxycarbonyl)-N-methyl-L-alanine (16948-16-6) → (2S)-2-[(2S)-2-[[(tert-butoxy)carbonyl](methyl)amino]propanamido]-2-cyclohexylacetic acid (894789-27-6)

Guidance literature:

S-(((9H-fluoren-9-yl)methoxy)carbonyl)cyclohexylglycine; With 2-chlorotrityl chloride polystyrene resin; N-ethyl-N,N-diisopropylamine; In dichloromethane; at 20 ℃; for 3h; 2-chlorotrityl chloride resin

With piperidine; In N,N-dimethyl acetamide; for 0.25h;

N-(tert-butoxycarbonyl)-N-methyl-L-alanine; With O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; acetic acid; N-ethyl-N,N-diisopropylamine; more than 3 stages;

upstream raw materials:

N-(tert-butoxycarbonyl)-N-methyl-L-alanine

S-(((9H-fluoren-9-yl)methoxy)carbonyl)cyclohexylglycine

methyl (2S)-amino(cyclohexyl)ethanoate hydrochloride

methyl (2S)-2-[(2S)-2-{[(tert-butoxy)carbonyl](methyl)amino}propanamido]-2-cyclohexylacetate

Downstream raw materials:

C₃₂H₅₀N₄O₄

C₃₂H₅₀N₄O₄

C₂₀H₂₇N₅O₂

C₃₄H₄₇N₅O₄

Refernces

• 1、 -. "BIFUNCTIONAL COMPOUNDS FOR DEGRADING BTK VIA UBIQUITIN PROTEOSOME PATHWAY". . . Retrieved 2021/05/15.
• 2、 -. "BIFUNCTIONAL COMPOUNDS FOR DEGRADING BTK VIA UBIQUITIN PROTEOSOME PATHWAY". Paragraph 0927; 0930; 0931. . Retrieved 2020/05/21.