tert-Butyl 4-amidinopiperidine-1-carboxylate

Base Information

• Chemical Name: tert-Butyl 4-amidinopiperidine-1-carboxylate
• CAS No.: 885270-23-5
• Molecular Formula: C11H21N3O2
• Molecular Weight: 227.3
• Hs Code.: 2933399090
• Mol file: 885270-23-5.mol

Synonyms:1-Piperidinecarboxylicacid, 4-(aminoiminomethyl)-, 1,1-dimethylethyl ester;

Chemical Property of tert-Butyl 4-amidinopiperidine-1-carboxylate

Chemical Property:

• Boiling Point: 330.1±52.0 °C(Predicted)
• PKA: 12.00±0.20(Predicted)
• PSA: 79.41000
• Density: 1.18±0.1 g/cm3(Predicted)
• LogP: 2.30740
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C

Purity/Quality:

97% ^*data from raw suppliers

tert-Butyl4-carbamimidoylpiperidine-1-carboxylate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of tert-Butyl 4-amidinopiperidine-1-carboxylate

There total 4 articles about tert-Butyl 4-amidinopiperidine-1-carboxylate 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%

4-carbamoyl-piperidine-1-carboxylic acid tert-butyl ester (91419-48-6) → 4-carbamimidoylpiperidine-1-carboxylic acid tertbutyl ester (885270-23-5)

Guidance literature:

4-carbamoyl-piperidine-1-carboxylic acid tert-butyl ester; With trimethoxonium tetrafluoroborate; In dichloromethane; at 0 ℃; for 3h;

With ammonia; In methanol; dichloromethane; at 20 ℃; for 18h;

Reference yield:

4-(N-hydroxycarbamimidoyl)piperidine-1-carboxylic acid tert-butyl ester (1421065-40-8,280110-63-6,782493-60-1) → 4-carbamimidoylpiperidine-1-carboxylic acid tertbutyl ester (885270-23-5)

Guidance literature:

With hydrogen; acetic acid; nickel; In methanol; at 50 ℃; for 4.5h; under 760.051 Torr;

Reference yield:

1-tert-butoxycarbonyl-4-cyanopiperidine (91419-52-2) → 4-carbamimidoylpiperidine-1-carboxylic acid tertbutyl ester (885270-23-5)

Guidance literature:

Multi-step reaction with 2 steps

1: potassium carbonate; hydroxylamine hydrochloride / ethanol; water / 90 °C

2: acetic acid; hydrogen / methanol / 3 h / 50 °C / Inert atmosphere

With hydroxylamine hydrochloride; hydrogen; potassium carbonate; acetic acid; In methanol; ethanol; water;

upstream raw materials:

4-(N-hydroxycarbamimidoyl)piperidine-1-carboxylic acid tert-butyl ester

1-tert-butoxycarbonyl-4-cyanopiperidine

4-carbamoyl-piperidine-1-carboxylic acid tert-butyl ester

N-[(tert-butoxy)carbonyl]piperidine-4-carboxylic acid

Downstream raw materials:

benzyl 4-[5-(1,3-benzothiazol-2-yl)-4-chloro-6-hydroxypyrimidin-2-yl]piperidine-1-carboxylate

benzyl 4-[5-(1,3-benzothiazol-2-yl)-4-[[(3R)-1-[(tert-butoxy)carbonyl]piperidin-3-yl]amino]-6-oxo-1,6-dihydropyrimidin-2-yl]piperidine-1-carboxylate