cis-Dimethyl piperidine-2,6-dicarboxylate hydrochloride

Base Information

• Chemical Name: cis-Dimethyl piperidine-2,6-dicarboxylate hydrochloride
• CAS No.: 59234-48-9
• Molecular Formula: C9H15 N O4 . Cl H
• Molecular Weight: 237.68
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID60483113
• Mol file: 59234-48-9.mol

Synonyms:59234-48-9;cis-Dimethyl piperidine-2,6-dicarboxylate hydrochloride;CIS-PIPERIDINE-2,6-DICARBOXYLIC ACID DIMETHYL ESTER HYDROCHLORIDE;dimethyl (2S,6R)-piperidine-2,6-dicarboxylate hydrochloride;dimethyl (2R,6S)-piperidine-2,6-dicarboxylate;hydrochloride;CIS-PIPERIDINE-2,6-DICARBOXYLICACIDDIMETHYLESTERHCL;DTXSID60483113;BRERJBQQPCKULM-UKMDXRBESA-N;AKOS015846310;2,6-Piperidinedicarboxylicacid, 2,6-dimethyl ester, hydrochloride (1:1), (2R,6S)-rel-;CS-0453959;(2S,6R)-dimethyl piperidine-2,6-dicarboxylate hydrochloride;(+/-)-Dimethyl (2R,6S)-piperidine-2,6-dicarboxylate hydrochloride;Dimethyl (2R,6S)-piperidine-2,6-dicarboxylate--hydrogen chloride (1/1)

Chemical Property of cis-Dimethyl piperidine-2,6-dicarboxylate hydrochloride

Chemical Property:

• PSA: 64.63000
• LogP: 0.97390
• Storage Temp.: Sealed in dry,Room Temperature
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 237.0767857
• Heavy Atom Count: 15
• Complexity: 207

Purity/Quality:

97% ^*data from raw suppliers

cis-Dimethylpiperidine-2,6-dicarboxylatehydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1CCCC(N1)C(=O)OC.Cl
• Isomeric SMILES: COC(=O)[C@H]1CCC[C@H](N1)C(=O)OC.Cl

Technology Process of cis-Dimethyl piperidine-2,6-dicarboxylate hydrochloride

There total 3 articles about cis-Dimethyl piperidine-2,6-dicarboxylate hydrochloride 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: 89.0%

2,6-bis(methoxycarbonyl)pyridine (5453-67-8) → dimethyl meso-(2R,6S)-piperidine-2,6-dicarboxylate hydrochloride (59234-48-9)

Guidance literature:

With hydrogenchloride; hydrogen; platinum(IV) oxide; In methanol; water; for 120h;

Reference yield:

methanol (67-56-1) + cis-meso-piperidine-2,6-dicarboxylic acid (59234-40-1,429661-20-1) → dimethyl meso-(2R,6S)-piperidine-2,6-dicarboxylate hydrochloride (59234-48-9)

Guidance literature:

With thionyl chloride; at 0 - 20 ℃;

DOI:10.1248/cpb.c17-00391

Reference yield:

Pyridine-2,6-dicarboxylic acid (499-83-2) → dimethyl meso-(2R,6S)-piperidine-2,6-dicarboxylate hydrochloride (59234-48-9)

Guidance literature:

Multi-step reaction with 2 steps

1: hydrogen; platinum(IV) oxide; acetic acid / 0.17 h / 80 °C / 75007.5 Torr / Autoclave

2: thionyl chloride / 0 - 20 °C

With platinum(IV) oxide; thionyl chloride; hydrogen; acetic acid;

DOI:10.1248/cpb.c17-00391

upstream raw materials:

2,6-bis(methoxycarbonyl)pyridine

Pyridine-2,6-dicarboxylic acid

methanol

cis-meso-piperidine-2,6-dicarboxylic acid

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