Ethyl 1-Boc-3-pyrrolidinecarboxylate

Base Information

• Chemical Name: Ethyl 1-Boc-3-pyrrolidinecarboxylate
• CAS No.: 170844-49-2
• Molecular Formula: C12H21NO4
• Molecular Weight: 243.303
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID90400631
• Mol file: 170844-49-2.mol

Synonyms:170844-49-2;Ethyl 1-Boc-3-pyrrolidinecarboxylate;1-tert-butyl 3-ethyl pyrrolidine-1,3-dicarboxylate;Pyrrolidine-1,3-dicarboxylic acid 1-tert-butyl ester 3-ethyl ester;MFCD03791256;1-O-tert-butyl 3-O-ethyl pyrrolidine-1,3-dicarboxylate;1,3-PYRROLIDINEDICARBOXYLIC ACID, 1-(1,1-DIMETHYLETHYL) 3-ETHYL ESTER;MFCD19442798;SCHEMBL3787646;DTXSID90400631;PKDQVUYUWUHNMG-UHFFFAOYSA-N;ETHYL 1-BOC-BETA-PROLINATE;BCP15392;BBL101328;STL555124;AKOS005258666;Ethyl 1-Boc-3-pyrrolidine-carboxylate;AC-4767;CS-W014133;DS-0591;N-Boc- 3-ethyl pyrrolidine-carboxylate;PB24823;Ethyl 1S-1-Boc-3-Pyrrolidinecarboxylate;N-BOC-DL-BETA-PROLINE ETHYL ESTER;SY003192;SY015625;A3765;AM20090023;FT-0601858;FT-0771753;1-tert-butyl3-ethylpyrrolidine-1,3-dicarboxylate;J-520527;1-(tert-butoxycarbonyl)-3-pyrrolidinecarboxylic acid ethyl ester;Pyrrolidine-1,3-dicarboxylic acid 1-tert-butyl ester 3-ethyl ester, AldrichCPR

Chemical Property of Ethyl 1-Boc-3-pyrrolidinecarboxylate

Chemical Property:

• Vapor Pressure: 0.001mmHg at 25°C
• Refractive Index: 1.476
• Boiling Point: 305.592 °C at 760 mmHg
• PKA: -2.57±0.40(Predicted)
• Flash Point: 138.617 °C
• PSA: 55.84000
• Density: 1.101 g/cm³
• LogP: 1.74440
• Storage Temp.: 2-8°C
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 243.14705815
• Heavy Atom Count: 17
• Complexity: 295

Purity/Quality:

99% ^*data from raw suppliers

Ethyl1-BOC-3-pyrrolidinecarboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,Xn
• Statements: 36/37/38-22
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1CCN(C1)C(=O)OC(C)(C)C

Technology Process of Ethyl 1-Boc-3-pyrrolidinecarboxylate

There total 3 articles about Ethyl 1-Boc-3-pyrrolidinecarboxylate 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%

3-ethoxycarbonyl-pyrrolidine (72925-15-6,81049-27-6,81049-29-8) + di-tert-butyl dicarbonate (24424-99-5) → 1-t-butyloxycarbonylpyrrole-3-carboxylic acid ethyl ester (170844-49-2,1421256-03-2)

Guidance literature:

In dichloromethane; at 0 - 20 ℃; for 18.1667h;

Reference yield:

1-boc-pyrrolidine-3-carboxylic acid (72925-16-7,72983-31-4,140148-70-5,59378-75-5) + chloroformic acid ethyl ester (541-41-3) → 1-t-butyloxycarbonylpyrrole-3-carboxylic acid ethyl ester (170844-49-2,1421256-03-2)

Guidance literature:

With triethylamine; dimethylaminopyridine; In tetrahydrofuran; ethanol; at 0 - 20 ℃; for 1.5h;

Reference yield:

ethanol (64-17-5) + 1-boc-pyrrolidine-3-carboxylic acid (72925-16-7,72983-31-4,140148-70-5,59378-75-5) → 1-t-butyloxycarbonylpyrrole-3-carboxylic acid ethyl ester (170844-49-2,1421256-03-2)

Guidance literature:

1-boc-pyrrolidine-3-carboxylic acid; With chloroformic acid ethyl ester; triethylamine; In tetrahydrofuran; at 0 - 5 ℃;

ethanol; dmap; In tetrahydrofuran; at 20 ℃; for 1h;

upstream raw materials:

3-ethoxycarbonyl-pyrrolidine

di-tert-butyl dicarbonate

1-boc-pyrrolidine-3-carboxylic acid

chloroformic acid ethyl ester

Downstream raw materials:

tert-butyl 3-(hydroxymethyl)pyrrolidine-1-carboxylate

ethyl pyrrolidine-3-carboxylate hydrochloride

Refernces

• 1、 -. "COGNITION ENHANCING COMPOUNDS AND COMPOSITIONS, METHODS OF MAKING, AND METHODS OF TREATING". Page/Page column 159. . Retrieved 2012/03/27.
• 2、 -. "COMPOUNDS AND COMPOSITIONS FOR COGNITION-ENHANCEMENT, METHODS OF MAKING, AND METHODS OF TREATING". Page/Page column 130. . Retrieved 2010/09/18.