1-Tert-butyl 3-ethyl 3-methyl-4-oxopyrrolidine-1,3-dicarboxylate

Base Information

• Chemical Name: 1-Tert-butyl 3-ethyl 3-methyl-4-oxopyrrolidine-1,3-dicarboxylate
• CAS No.: 897043-85-5
• Molecular Formula: C₁₃H₂₁NO₅
• Molecular Weight: 271.313
• European Community (EC) Number: 968-619-7
• Mol file: 897043-85-5.mol

Synonyms:897043-85-5;1-TERT-BUTYL 3-ETHYL 3-METHYL-4-OXOPYRROLIDINE-1,3-DICARBOXYLATE;Ethyl 1-Boc-3-methyl-4-oxopyrrolidine-3-carboxylate;MFCD17012785;1-O-tert-butyl 3-O-ethyl 3-methyl-4-oxopyrrolidine-1,3-dicarboxylate;SCHEMBL5509672;AMY4398;XKB04385;AKOS025403927;CS-W001675;PB13708;AS-51146;SY099923;P11987;Ethyl1-Boc-3-methyl-4-oxopyrrolidine-3-carboxylate;3-Ethyl-1-Boc-3-methyl-4-oxopyrrolidine-3-carboxylate;1-(tert-butyl) 3-ethyl 3-methyl-4-oxopyrrolidine-1,3-dicarboxylate;3-Methyl-4-oxo-1,3-pyrrolidinedicarboxylic acid 1-(tert-butyl) 3-ethyl ester;3-methyl-4-oxo-pyrrolidine-1,3-dicarboxylic acid 1-tert-butyl 3-ethyl ester

Chemical Property of 1-Tert-butyl 3-ethyl 3-methyl-4-oxopyrrolidine-1,3-dicarboxylate

Chemical Property:

• PSA: 72.91000
• Density: 1.149
• LogP: 1.31350
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 271.14197277
• Heavy Atom Count: 19
• Complexity: 398

Purity/Quality:

97% ^*data from raw suppliers

Ethyl1-Boc-3-methyl-4-oxopyrrolidine-3-carboxylate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCOC(=O)C1(CN(CC1=O)C(=O)OC(C)(C)C)C

Technology Process of 1-Tert-butyl 3-ethyl 3-methyl-4-oxopyrrolidine-1,3-dicarboxylate

There total 3 articles about 1-Tert-butyl 3-ethyl 3-methyl-4-oxopyrrolidine-1,3-dicarboxylate 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: 93.0%

4-oxo-pyrrolidine-1,3-dicarboxylic acid 1-tert-butyl ester 3-ethyl ester (146256-98-6) + methyl iodide (74-88-4) → 3-methyl-4-oxo-pyrrolidine-1,3-dicarboxylic acid 1-tert-butyl ester 3-ethyl ester (897043-85-5)

Guidance literature:

With potassium carbonate; In acetone; at 25 ℃; for 4h;

Reference yield:

di-tert-butyl dicarbonate (24424-99-5) → 3-methyl-4-oxo-pyrrolidine-1,3-dicarboxylic acid 1-tert-butyl ester 3-ethyl ester (897043-85-5)

Guidance literature:

Multi-step reaction with 3 steps

1.1: triethylamine / methanol / 4 h / 20 °C

2.1: sodium hydride / toluene / 5 h / 4 °C

2.2: 72.6 g / toluene / 2 h / 20 °C

3.1: 86 percent / potassium carbonate / acetone / 5 h / 20 °C

With sodium hydride; potassium carbonate; triethylamine; In methanol; acetone; toluene;

DOI:10.1016/j.tetlet.2007.05.100

Reference yield:

ethyl 2-(tert-butoxycarbonylamino)acetate (14719-37-0) → 3-methyl-4-oxo-pyrrolidine-1,3-dicarboxylic acid 1-tert-butyl ester 3-ethyl ester (897043-85-5)

Guidance literature:

Multi-step reaction with 2 steps

1.1: sodium hydride / toluene / 5 h / 4 °C

1.2: 72.6 g / toluene / 2 h / 20 °C

2.1: 86 percent / potassium carbonate / acetone / 5 h / 20 °C

With sodium hydride; potassium carbonate; In acetone; toluene;

DOI:10.1016/j.tetlet.2007.05.100

upstream raw materials:

4-oxo-pyrrolidine-1,3-dicarboxylic acid 1-tert-butyl ester 3-ethyl ester

methyl iodide

di-tert-butyl dicarbonate

ethyl 2-(tert-butoxycarbonylamino)acetate