Methyl 3-amino-4-piperidin-1-ylbenzoate

Base Information

• Chemical Name: Methyl 3-amino-4-piperidin-1-ylbenzoate
• CAS No.: 696616-81-6
• Molecular Formula: C₁₃H₁₈N₂O₂
• Molecular Weight: 234.298
• Hs Code.: 2933399090
• European Community (EC) Number: 800-759-5
• DSSTox Substance ID: DTXSID70361372
• Wikidata: Q82143683
• ChEMBL ID: CHEMBL1612698
• Mol file: 696616-81-6.mol

Synonyms:methyl 3-amino-4-piperidin-1-ylbenzoate;696616-81-6;methyl 3-amino-4-(piperidin-1-yl)benzoate;methyl 3-amino-4-(1-piperidinyl)benzoate;MFCD05257068;MLS000676051;SCHEMBL195575;CHEMBL1612698;DTXSID70361372;HMS2719C18;BBL012252;STK734582;AKOS003348370;SB44089;SMR000296148;VS-03250;Methyl-3-amino-4-(1-piperidinyl)benzoate;methyl3-amino-4-(piperidin-1-yl)benzoate;CS-0301891;FT-0683224;EN300-5522070;AO-080/43226948;SR-01000294509;SR-01000294509-1

Chemical Property of Methyl 3-amino-4-piperidin-1-ylbenzoate

Chemical Property:

• Vapor Pressure: 4.39E-07mmHg at 25°C
• Boiling Point: 414.6°C at 760 mmHg
• PKA: 6.26±0.11(Predicted)
• Flash Point: 204.6°C
• PSA: 55.56000
• Density: 1.16g/cm³
• LogP: 2.69190
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 234.136827821
• Heavy Atom Count: 17
• Complexity: 264

Purity/Quality:

98%Min ^*data from raw suppliers

Methyl 3-amino-4-piperidin-1-ylbenzoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=CC(=C(C=C1)N2CCCCC2)N

Technology Process of Methyl 3-amino-4-piperidin-1-ylbenzoate

There total 1 articles about Methyl 3-amino-4-piperidin-1-ylbenzoate 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:

→ 3-Amino-4-piperidino-benzoesaeuremethylester (696616-81-6)

Guidance literature:

Aus 3-Nitro-4-piperidino-benzoesaeuremethylester durch kat. Hydrierung;

Reference yield:

3-Amino-4-piperidino-benzoesaeuremethylester (696616-81-6) → C21H20FNO2

Guidance literature:

Multi-step reaction with 2 steps

1.1: sodium nitrite; hydrogenchloride / water / 0.17 h / -5 - -2 °C

1.2: 0.5 h / -2 - 20 °C

2.1: triethylamine; bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide / acetonitrile / 1.5 h / 60 °C / Inert atmosphere

With hydrogenchloride; bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; triethylamine; sodium nitrite; In water; acetonitrile;

Reference yield:

3-Amino-4-piperidino-benzoesaeuremethylester (696616-81-6) → C20H18FNO2

Guidance literature:

Multi-step reaction with 3 steps

1.1: sodium nitrite; hydrogenchloride / water / 0.17 h / -5 - -2 °C

1.2: 0.5 h / -2 - 20 °C

2.1: triethylamine; bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide / acetonitrile / 1.5 h / 60 °C / Inert atmosphere

3.1: sodium hydroxide; water / methanol; tetrahydrofuran / 16 h / 20 °C

With hydrogenchloride; bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; water; triethylamine; sodium hydroxide; sodium nitrite; In tetrahydrofuran; methanol; water; acetonitrile;