3-(2-Thiazolyl)-1-piperidinecarboxylic acid 1,1-dimethylethyl ester

Base Information

• Chemical Name: 3-(2-Thiazolyl)-1-piperidinecarboxylic acid 1,1-dimethylethyl ester
• CAS No.: 630121-83-4
• Molecular Formula: C₁₃H₂₀N₂O₂S
• Molecular Weight: 268.38
• DSSTox Substance ID: DTXSID20704432
• Mol file: 630121-83-4.mol

Synonyms:630121-83-4;3-(2-Thiazolyl)-1-piperidinecarboxylic acid 1,1-dimethylethyl ester;TERT-BUTYL 3-(1,3-THIAZOL-2-YL)PIPERIDINE-1-CARBOXYLATE;SCHEMBL3545981;DTXSID20704432;AB64525;FT-0738180;1-piperidinecarboxylic acid,3-(2-thiazolyl)-,1,1-dimethylethyl ester

Chemical Property of 3-(2-Thiazolyl)-1-piperidinecarboxylic acid 1,1-dimethylethyl ester

Chemical Property:

• Boiling Point: 368.8±35.0 °C(Predicted)
• PKA: 3.07±0.10(Predicted)
• PSA: 70.67000
• Density: 1.158±0.06 g/cm3(Predicted)
• LogP: 3.19550
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 268.12454906
• Heavy Atom Count: 18
• Complexity: 304

Purity/Quality:

98%min ^*data from raw suppliers

3-(2-THIAZOLYL)-1-PIPERIDINECARBOXYLIC ACID-1,1-DIMETHYLETHYL ESTER 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)N1CCCC(C1)C2=NC=CS2

Technology Process of 3-(2-Thiazolyl)-1-piperidinecarboxylic acid 1,1-dimethylethyl ester

There total 4 articles about 3-(2-Thiazolyl)-1-piperidinecarboxylic acid 1,1-dimethylethyl ester 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%

tert-butyl 5-(1,3-thiazol-2-yl)-3,6-dihydropyridine-1(2H)-carboxylate (630121-82-3) → 3-(thiazol-2-yl)piperidine-1-carboxylic acid tert-butyl ester (630121-83-4)

Guidance literature:

With hydrogen; 10% Pd/C; In methanol; at 20 ℃; for 96h; under 760.051 Torr;

Reference yield: 100.0%

5-(thiazol-2-yl)-3,4-dihydro-2H-pyridine-1-carboxylic acid tert-butyl ester (877168-33-7) → 3-(thiazol-2-yl)piperidine-1-carboxylic acid tert-butyl ester (630121-83-4)

Guidance literature:

With hydrogen; palladium on activated charcoal; In methanol; at 20 ℃; for 96h;

DOI:10.1016/j.bmc.2005.04.060

Reference yield:

3-oxo-piperidine-1-carboxylic acid tert-butyl ester (98977-36-7) → 3-(thiazol-2-yl)piperidine-1-carboxylic acid tert-butyl ester (630121-83-4)

Guidance literature:

Multi-step reaction with 3 steps

1.1: lithium diisopropylamide / tetrahydrofuran; hexane / 0.25 h / -78 °C

1.2: 24 percent / tetrahydrofuran; hexane / -78 - 20 °C

2.1: 60 percent / Pd(PPh₃)4 / tetrahydrofuran / 2 h / 50 °C

3.1: 100 percent / H₂ / Pd-C / methanol / 96 h / 20 °C

With hydrogen; lithium diisopropyl amide; palladium on activated charcoal; tetrakis(triphenylphosphine) palladium⁽⁰⁾; In tetrahydrofuran; methanol; hexane;

DOI:10.1016/j.bmc.2005.04.060

upstream raw materials:

5-(thiazol-2-yl)-3,4-dihydro-2H-pyridine-1-carboxylic acid tert-butyl ester

3-oxo-piperidine-1-carboxylic acid tert-butyl ester

5-trifluoromethanesulfonyloxy-3,4-dihydro-2H-pyridine-1-carboxylic acid tert-butyl ester

tert-butyl 5-(1,3-thiazol-2-yl)-3,6-dihydropyridine-1(2H)-carboxylate

Downstream raw materials:

3-(thiazol-2-yl)piperidine

1-(4-fluorophenyl)-3-[3-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one

Refernces

• 1、 -. "Oximes and hydrazones that are useful in treating sexual dysfunction". Page/Page column 41. . Retrieved 2010/02/13.
• 2、 -. "Acetamides and benzamides that are useful in treating sexual dysfunction". Page 123-124. . Retrieved 2008/06/13.