(S)-Methyl piperidine-3-carboxylate

Base Information

• Chemical Name: (S)-Methyl piperidine-3-carboxylate
• CAS No.: 276248-50-1
• Molecular Formula: C7H13 N O2
• Molecular Weight: 143.18
• DSSTox Substance ID: DTXSID40595844
• Wikidata: Q82490938
• Mol file: 276248-50-1.mol

Synonyms:(S)-Methyl piperidine-3-carboxylate;276248-50-1;methyl (3S)-piperidine-3-carboxylate;3-Piperidinecarboxylic acid, methyl ester, (3S)-;3-Piperidinecarboxylicacid,methylester,(3S)-(9CI);(S)-METHYL NIPECOTATE;SCHEMBL4673135;DTXSID40595844;BCDBHIAXYFPJCT-LURJTMIESA-N;(S)-methylpiperidine-3-carboxylate;CS-M0788;MFCD09752680;Methyl (S)-3-Piperidine Carboxylate;AKOS006239016;BS-22179;DB-344952;EN300-58682;G72235;A876883

Chemical Property of (S)-Methyl piperidine-3-carboxylate

Chemical Property:

• Boiling Point: 193.8±33.0 °C(Predicted)
• PKA: 9.28±0.10(Predicted)
• PSA: 38.33000
• Density: 1.021±0.06 g/cm3(Predicted)
• LogP: 0.48780
• Storage Temp.: Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
• XLogP3: -0.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 143.094628657
• Heavy Atom Count: 10
• Complexity: 125

Purity/Quality:

97% ^*data from raw suppliers

(S)-Methylpiperidine-3-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1CCCNC1
• Isomeric SMILES: COC(=O)[C@H]1CCCNC1

Technology Process of (S)-Methyl piperidine-3-carboxylate

There total 3 articles about (S)-Methyl piperidine-3-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:

1-(tert-butoxycarbonyl)piperidine-(3S)-carboxylic acid methyl ester (88466-76-6) → (S)-methyl piperidine-3-carboxylate (276248-50-1)

Guidance literature:

1-(tert-butoxycarbonyl)piperidine-(3S)-carboxylic acid methyl ester; With hydrogenchloride; In 1,4-dioxane; at 20 ℃; for 16h;

With sodium hydrogencarbonate; In 1,4-dioxane; water; pH=9;

Reference yield:

methanol (67-56-1) + (3S)-1-(tert-butoxycarbonyl)piperidine-3-carboxylic acid (88495-54-9) → (S)-methyl piperidine-3-carboxylate (276248-50-1)

Guidance literature:

With methanesulfonic acid; at 25 ℃; for 16h;

Reference yield:

methanol (67-56-1) + (S)-nipecotic acid (1R)-(+)-10-camphorsulfonic acid salt → (S)-methyl piperidine-3-carboxylate (276248-50-1)

Guidance literature:

With thionyl chloride;

DOI:10.1021/ja993416p

upstream raw materials:

methanol

1-(tert-butoxycarbonyl)piperidine-(3S)-carboxylic acid methyl ester

(3S)-1-(tert-butoxycarbonyl)piperidine-3-carboxylic acid

Downstream raw materials:

1-[2-oxo-2-[5-[(4-phenyl-5-trifluoromethyl-2-thienyl)methoxy]indolin-1-yl]ethyl]piperidine-(3S)-carboxylic acid methyl ester

((1S,2S)-2-Benzyl-3-{(R)-3-[(S)-3-((1R,2S)-1-ethyl-2-methylcarbamoyl-propylcarbamoyl)-piperidine-1-carbonyl]-piperidin-1-yl}-3-oxo-1-phenylsulfanylmethyl-propyl)-carbamic acid tert-butyl ester

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