Ethyl 4-(isopropylamino)piperidine-1-carboxylate

Base Information

• Chemical Name: Ethyl 4-(isopropylamino)piperidine-1-carboxylate
• CAS No.: 104605-11-0
• Molecular Formula: C11H22N2O2
• Molecular Weight: 214.30500
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID00577469
• Wikidata: Q82467495
• Mol file: 104605-11-0.mol

Synonyms:104605-11-0;ethyl 4-(isopropylamino)piperidine-1-carboxylate;ethyl 4-(propan-2-ylamino)piperidine-1-carboxylate;4-Isopropylamino-piperidine-1-carboxylic acid ethyl ester;ethyl 4-[(1-methylethyl)-amino]-1-piperidinecarboxylate;SCHEMBL9774617;DTXSID00577469;YQTFNXBVTDBPHT-UHFFFAOYSA-N;AKOS000241585;ethyl4-(isopropylamino)piperidine-1-carboxylate;A847670;Ethyl 4-[(propan-2-yl)amino]piperidine-1-carboxylate;ethyl 4-[(1-methylethyl)amino]-1-piperidinecarboxylate

Chemical Property of Ethyl 4-(isopropylamino)piperidine-1-carboxylate

Chemical Property:

• Vapor Pressure: 0.00147mmHg at 25°C
• Boiling Point: 296.1oC at 760 mmHg
• Flash Point: 132.8oC
• PSA: 41.57000
• Density: 1.01g/cm3
• LogP: 1.93410
• Storage Temp.: 2-8°C
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 214.168127949
• Heavy Atom Count: 15
• Complexity: 199

Purity/Quality:

97% ^*data from raw suppliers

Ethyl4-(isopropylamino)piperidine-1-carboxylate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)N1CCC(CC1)NC(C)C

Technology Process of Ethyl 4-(isopropylamino)piperidine-1-carboxylate

There total 1 articles about Ethyl 4-(isopropylamino)piperidine-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:

isopropylamine (75-31-0) + N-ethoxycarbonyl-4-piperidone (29976-53-2) → ethyl 4-[(1-methylethyl)-amino]-1-piperidinecarboxylate (104605-11-0)

Guidance literature:

palladium; In thiophene; methanol;

Reference yield:

ethyl 4-[(1-methylethyl)-amino]-1-piperidinecarboxylate (104605-11-0) → (1-Ethyl-1H-benzoimidazol-2-yl)-isopropyl-(1-phenethyl-piperidin-4-yl)-amine (98245-08-0)

Guidance literature:

Multi-step reaction with 6 steps

1: tetrahydrofuran / 25 °C

2: H₂, NH₃ / 10 percent Pd/C / methanol / 760 Torr / Ambient temperature

3: HgO/S

4: 48 percent aq. HBr / 2 h / 120 °C

5: Na₂CO₃ / dimethylformamide / 70 °C

6: 1.) sodium hydride / 1.) dimethyl sulfoxide, benzene, 30 min, 2.) dimethyl sulfoxide, benzene, RT, overnight

With ammonia; hydrogen bromide; hydrogen; sodium hydride; sodium carbonate; sulfur; mercury(II) oxide; palladium on activated charcoal; In tetrahydrofuran; methanol; N,N-dimethyl-formamide;

DOI:10.1021/jm00150a029

Reference yield:

ethyl 4-[(1-methylethyl)-amino]-1-piperidinecarboxylate (104605-11-0) → (1-Benzyl-1H-benzoimidazol-2-yl)-isopropyl-(1-phenethyl-piperidin-4-yl)-amine (73736-37-5)

Guidance literature:

Multi-step reaction with 7 steps

1: tetrahydrofuran / 25 °C

2: H₂, NH₃ / 10 percent Pd/C / methanol / 760 Torr / Ambient temperature

3: HgO/S

4: 48 percent aq. HBr / 2 h / 120 °C

5: Na₂CO₃ / dimethylformamide / 70 °C

6: 1.) sodium hydride / 1.) dimethyl sulfoxide, benzene, 30 min, 2.) dimethyl sulfoxide, benzene, RT, overnight

7: 1.) sodium hydride / 1.) dimethyl sulfoxide, benzene, 30 min, 2.) dimethyl sulfoxide, benzene, RT, overnight

With ammonia; hydrogen bromide; hydrogen; sodium hydride; sodium carbonate; sulfur; mercury(II) oxide; palladium on activated charcoal; In tetrahydrofuran; methanol; N,N-dimethyl-formamide;

DOI:10.1021/jm00150a029

upstream raw materials:

isopropylamine

N-ethoxycarbonyl-4-piperidone

Downstream raw materials:

N-(1-methylethyl)-N-<1-(2-phenylethyl)-4-piperidinyl>-1H-benzimidazol-2-amine

(1-Ethyl-1H-benzoimidazol-2-yl)-isopropyl-(1-phenethyl-piperidin-4-yl)-amine

(1-Benzyl-1H-benzoimidazol-2-yl)-isopropyl-(1-phenethyl-piperidin-4-yl)-amine

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