1-(Tert-butoxycarbonyl)-4-oxopyrrolidine-2-carboxylic acid

Base Information

• Chemical Name: 1-(Tert-butoxycarbonyl)-4-oxopyrrolidine-2-carboxylic acid
• CAS No.: 876317-19-0
• Molecular Formula: C10H15 N O5
• Molecular Weight: 229.233
• Hs Code.: 2933990090
• European Community (EC) Number: 813-854-1
• DSSTox Substance ID: DTXSID10399957
• Mol file: 876317-19-0.mol

Synonyms:876317-19-0;1-(tert-butoxycarbonyl)-4-oxopyrrolidine-2-carboxylic acid;1-(tert-Butoxycarbonyl)-4-oxopyrrolidine-2-carboxylicacid;N-Boc-4-oxo-DL-Proline;N-Boc-4-Oxo-D-proline;1-[(2-methylpropan-2-yl)oxycarbonyl]-4-oxopyrrolidine-2-carboxylic acid;1-[(tert-butoxy)carbonyl]-4-oxopyrrolidine-2-carboxylic acid;4-Oxo-pyrrolidine-1,2-dicarboxylic acid 1-tert-butyl ester;Boc-4-Oxo-D-Pro-OH;SCHEMBL204966;DTXSID10399957;BCP18625;BCP34591;MFCD02668169;AKOS015900150;CS-W018880;SB13453;AC-26531;CS-10832;SY024343;FT-0641949;FT-0650493;EN300-148009;A862496;(2S)-1-Tert-butyl-hydrogen-4-oxopyrrolidine-1,2-dicarboxylate

Chemical Property of 1-(Tert-butoxycarbonyl)-4-oxopyrrolidine-2-carboxylic acid

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 155 °C
• Boiling Point: 390.756°C at 760 mmHg
• PKA: 3.85±0.20(Predicted)
• Flash Point: 190.123°C
• PSA: 83.91000
• Density: 1.305g/cm³
• LogP: 0.58740
• Storage Temp.: 2-8°C
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 229.09502258
• Heavy Atom Count: 16
• Complexity: 331

Purity/Quality:

97% ^*data from raw suppliers

1-tert-(Butoxycarbonyl)pyrrolidin-4-one-2-carboxylic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)N1CC(=O)CC1C(=O)O

Technology Process of 1-(Tert-butoxycarbonyl)-4-oxopyrrolidine-2-carboxylic acid

There total 3 articles about 1-(Tert-butoxycarbonyl)-4-oxopyrrolidine-2-carboxylic 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: 100.0%

1-(t-butoxycarbonyl)-4-hydroxyproline (40350-82-1,946610-68-0) → (28)-1-(tert-butoxycarbonyl)-4-oxo-2-pyrrolidinecarboxylic acid (876317-19-0)

Guidance literature:

With 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; trichloroisocyanuric acid; In dichloromethane; at 20 ℃; for 1h; Concentration;

Reference yield:

3-hydroxy-dl-proline (51-35-4,30724-02-8) → (28)-1-(tert-butoxycarbonyl)-4-oxo-2-pyrrolidinecarboxylic acid (876317-19-0)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium hydroxide / tetrahydrofuran; water / 0 - 20 °C

2: 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; trichloroisocyanuric acid / dichloromethane / 1 h / 20 °C

With 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; trichloroisocyanuric acid; sodium hydroxide; In tetrahydrofuran; dichloromethane; water;

Reference yield:

di-tert-butyl dicarbonate (24424-99-5) → (28)-1-(tert-butoxycarbonyl)-4-oxo-2-pyrrolidinecarboxylic acid (876317-19-0)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium hydroxide / tetrahydrofuran; water / 0 - 20 °C

2: 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; trichloroisocyanuric acid / dichloromethane / 1 h / 20 °C

With 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; trichloroisocyanuric acid; sodium hydroxide; In tetrahydrofuran; dichloromethane; water;

upstream raw materials:

3-hydroxy-dl-proline

di-tert-butyl dicarbonate

1-(t-butoxycarbonyl)-4-hydroxyproline

Downstream raw materials:

(2S)-N-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-pyrrolidinecarboxamide

(2S)-N₁-(3,5-dichlorophenyl)-N₂-(3,4-dimethoxybenzyl)-4-oxo-1,2-pyrrolidinedicarboxamide

3,4-dimethoxybenzylamine

(2S)-N₂-(2,1,3-benzothiadiazol-4-yl)-N₁-(3,5-dichlorophenyl)-4-oxo-1,2-pyrrolidinedicarboxamide

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