1-Piperazinecarboxylic acid, 3,5-diMethyl-, 1,1-diMethylethyl ester, (3R,5R)-

Base Information

• Chemical Name: 1-Piperazinecarboxylic acid, 3,5-diMethyl-, 1,1-diMethylethyl ester, (3R,5R)-
• CAS No.: 438049-91-3
• Molecular Formula: C11H22N2O2
• Molecular Weight: 214.308
• Mol file: 438049-91-3.mol

Synonyms:1-Piperazinecarboxylic acid, 3,5-diMethyl-, 1,1-diMethylethyl ester, (3R,5R)-;(3R,5R)-tert-Butyl 3,5-diMethylpiperazine-1-carboxylate;(3R,5R)-1-Boc-3,5-diMethylpiperazine;tert-Butyl (3R,5R)-3,5-diMethylpiperazine-1-carboxylate;(3R,5R)-3,5-Dimethyl-1-piperazinecarboxylic Acid 1,1-Dimethylethyl Ester

Chemical Property of 1-Piperazinecarboxylic acid, 3,5-diMethyl-, 1,1-diMethylethyl ester, (3R,5R)-

Chemical Property:

• Vapor Pressure: 0.00394mmHg at 25°C
• Boiling Point: 279.7°C at 760 mmHg
• PKA: 8.58±0.60(Predicted)
• Flash Point: 123°C
• PSA: 41.57000
• Density: 0.97g/cm³
• LogP: 1.87040
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C

Purity/Quality:

98%min ^*data from raw suppliers

(3R,5R)-3,5-Dimethyl-1-piperazinecarboxylicAcid1,1-DimethylethylEster ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Uses: (3R,5R)-1-Boc-3,5-diMethylpiperazine is used in the preparation of 5HT3 modulators and used in the treatment of CINV and IBS-D. It is also used in the preparation o f 5-HT2 receptors. (3R,5R)-3,5-Dimethyl-1-piperazinecarboxylic Acid 1,1-Dimethylethyl Ester is used in the preparation of 5HT3 modulators and used in the treatment of CINV and IBS-D. It is also used in the preparation of 5-HT2 receptors.

Technology Process of 1-Piperazinecarboxylic acid, 3,5-diMethyl-, 1,1-diMethylethyl ester, (3R,5R)-

There total 1 articles about 1-Piperazinecarboxylic acid, 3,5-diMethyl-, 1,1-diMethylethyl ester, (3R,5R)- 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: 64.0%

di-tert-butyl dicarbonate (24424-99-5) + (2R,6R)-2,6-dimethylpiperazine dihydrochloride → (3S,5R)-tert-butyl 3,5-dimethylpiperazine-1-carboxylate (438049-91-3,1152111-14-2)

Guidance literature:

With triethylamine; In dichloromethane; at 20 ℃; for 48h;

Reference yield: 53.0%

(3S,5R)-tert-butyl 3,5-dimethylpiperazine-1-carboxylate (438049-91-3,1152111-14-2) + 2-fluoro-4-methoxy-benzoic acid (394-42-3) → tert-butyl (3R,5R)-4-(2-fluoro-4-methoxybenzoyl)-3,5-dimethylpiperazine-1-carboxylate

Guidance literature:

2-fluoro-4-methoxy-benzoic acid; With 2,4,6-tripropyl-1,3,5,2,4,6-trioxatriphosphinane-2,4,6-trioxide; N-ethyl-N,N-diisopropylamine; In dichloromethane; ethyl acetate; at 20 ℃; for 0.0833333h;

(3S,5R)-tert-butyl 3,5-dimethylpiperazine-1-carboxylate; In dichloromethane; ethyl acetate; at 20 ℃;

DOI:10.1021/acsmedchemlett.0c00145

Reference yield:

(3S,5R)-tert-butyl 3,5-dimethylpiperazine-1-carboxylate (438049-91-3,1152111-14-2) + 1-bromo-3-fluoro-5-methoxybenzene (29578-39-0) → tert-butyl (3R,5R)-4-(3-fluoro-5-methoxyphenyl)-3,5-dimethylpiperazine-1-carboxylate

Guidance literature:

With potassium hexamethylsilazane; In 1,4-dioxane; at 100 ℃; for 3h;

upstream raw materials:

di-tert-butyl dicarbonate

Refernces