rac N-Boc-3,3-dimethyl-2-pyrrolidenecarboxylic Acid

Base Information

• Chemical Name: rac N-Boc-3,3-dimethyl-2-pyrrolidenecarboxylic Acid
• CAS No.: 143979-40-2
• Molecular Formula: C₁₂H₂₁NO₄
• Molecular Weight: 243.303
• Hs Code.: 29225090
• European Community (EC) Number: 837-388-3
• DSSTox Substance ID: DTXSID30398881
• Mol file: 143979-40-2.mol

Synonyms:143979-40-2;rac N-Boc-3,3-dimethyl-2-pyrrolidenecarboxylic Acid;Boc-DL-Pro(3,3-Me2)-OH;3,3-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic Acid;1,2-Pyrrolidinedicarboxylicacid, 3,3-dimethyl-, 1-(1,1-dimethylethyl) ester;1-(tert-Butoxycarbonyl)-3,3-dimethylproline;1-[(tert-butoxy)carbonyl]-3,3-dimethylpyrrolidine-2-carboxylic acid;1-(TERT-BUTOXYCARBONYL)-3,3-DIMETHYLPYRROLIDINE-2-CARBOXYLIC ACID;(R,S)-Boc-3,3-dimethyl-proline;1-(tert-butoxycarbonyl)-3,3-dimethyl-D,L-proline;SCHEMBL905280;DTXSID30398881;(R,S)-Boc-3,3-Dimethylproline;FVTWJYOGVFLUNJ-UHFFFAOYSA-N;MFCD09952148;AKOS030239631;SB13401;SB13402;AS-82112;CS-0203639;FT-0663501;FT-0663502;E82445;EN300-226339;1-(tert-butoxycarbonyl)-3,3-dimethyl-dl-proline;J-007891;Z1505713908

Chemical Property of rac N-Boc-3,3-dimethyl-2-pyrrolidenecarboxylic Acid

Chemical Property:

• Vapor Pressure: 1.12E-05mmHg at 25°C
• Refractive Index: 1.483
• Boiling Point: 345.1°C at 760 mmHg
• PKA: 4.04±0.40(Predicted)
• Flash Point: 162.5°C
• PSA: 66.84000
• Density: 1.117g/cm³
• LogP: 2.04450
• Storage Temp.: Refrigerator
• Solubility.: Chloroform, Ethyl Acetate, Methanol (Slightly)
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 243.14705815
• Heavy Atom Count: 17
• Complexity: 330

Purity/Quality:

97% ^*data from raw suppliers

rac N-Boc-3,3-dimethyl-2-pyrrolidenecarboxylic Acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(CCN(C1C(=O)O)C(=O)OC(C)(C)C)C

Technology Process of rac N-Boc-3,3-dimethyl-2-pyrrolidenecarboxylic Acid

There total 3 articles about rac N-Boc-3,3-dimethyl-2-pyrrolidenecarboxylic 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:

3,3-dimethylproline hydrochloric acid salt (61406-78-8) + di-tert-butyl dicarbonate (24424-99-5) → (RS)-N-tert-butoxycarbonyl-3,3-dimethylpyrrolidine-2-carboxylic acid (143979-40-2)

Guidance literature:

With triethylamine; In water; N,N-dimethyl-formamide; at 20 ℃; for 5h;

Reference yield:

2,2-dicarboethoxy-3,3-dimethyl-pyrrolidine → (RS)-N-tert-butoxycarbonyl-3,3-dimethylpyrrolidine-2-carboxylic acid (143979-40-2)

Guidance literature:

Multi-step reaction with 2 steps

1: trifluoroacetic acid; hydrogenchloride / water / 8 h / Reflux

2: triethylamine / water; N,N-dimethyl-formamide / 5 h / 20 °C

With hydrogenchloride; triethylamine; trifluoroacetic acid; In water; N,N-dimethyl-formamide;

Reference yield:

→ (RS)-N-tert-butoxycarbonyl-3,3-dimethylpyrrolidine-2-carboxylic acid (143979-40-2)

Guidance literature:

entspr. Amin;

upstream raw materials:

3,3-dimethylproline hydrochloric acid salt

di-tert-butyl dicarbonate

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