1-Tert-butyl 4-methyl piperidine-1,4-dicarboxylate

Base Information

• Chemical Name: 1-Tert-butyl 4-methyl piperidine-1,4-dicarboxylate
• CAS No.: 124443-68-1
• Molecular Formula: C12H21NO4
• Molecular Weight: 243.303
• Hs Code.: 29333990
• European Community (EC) Number: 672-394-8
• NSC Number: 693923
• DSSTox Substance ID: DTXSID20327847
• Nikkaji Number: J1.530.224K
• Wikidata: Q72450457
• ChEMBL ID: CHEMBL2003081
• Mol file: 124443-68-1.mol

Synonyms:124443-68-1;N-Boc-piperidine-4-carboxylic acid methyl ester;1-tert-butyl 4-methyl piperidine-1,4-dicarboxylate;Methyl N-Boc-4-piperidinecarboxylate;methyl n-boc-piperidine-4-carboxylate;methyl (1-boc-piperidin-4-yl)carboxylate;1,4-Piperidinedicarboxylic acid, 1-(1,1-dimethylethyl) 4-methyl ester;MFCD02183584;NSC693923;1-N-Boc-4-piperidinecarboxylic acid methyl ester;1-O-tert-butyl 4-O-methyl piperidine-1,4-dicarboxylate;1-Boc-4-piperidinecarboxylic Acid Methyl Ester;1-(1,1-dimethylethyl) 4-methyl 1,4-piperidinedicarboxylate;1-(tert-Butoxycarbonyl)-4-piperidinecarboxylic Acid Methyl Ester;methyl 1-boc-piperidine-4-carboxylate;MethylN-Boc-4-piperidinecarboxylate;1-(tert-Butyl) 4-methyl piperidine-1,4-dicarboxylate;N-Boc-4-Piperidinecarboxylic acid methyl ester;SCHEMBL57231;O1-tert-butyl O4-methyl piperidine-1,4-dicarboxylate;CHEMBL2003081;DTXSID20327847;BCP22296;Methyl 1-Boc-4-piperidinecarboxylate;N-Boc-Isonipecotic acid methyl ester;STK503880;AKOS005071387;methyl?1-boc-piperidine-4-carboxylate;CS-W004331;NSC-693923;PB21176;SB10787;N-BOC-4-METHOXYCARBONYLPIPERIDINE;NCI60_033612;SY002284;A2623;AM20080183;FT-0601244;M2227;EN300-23880;B56857;methyl 1-t-butoxycarbonylpiperidine-4-carboxylate;N-t-butoxycarbonyl isonipecotic acid methyl ester;1-t-Butyl 4-methyl piperidine-1,4-dicarboxylate;1-tert-Butyl 4-methyl 1,4-piperidinedicarboxylate;9W-0607;J-505142;methyl 1-tert-butoxycarbonylpiperidine-4-carboxylate;tert-butyl 4-methoxycarbonylpiperidine-1-carboxylate;Methyl 1-(tert-Butoxycarbonyl)-4-piperidinecarboxylate;Methyl 1-(tert-butoxycarbonyl)piperidine-4-carboxylate;TERT-BUTYL METHYL PIPERIDINE-1,4-DICARBOXYLATE;Piperidine-1,4-dicarboxylic Acid 1-tert-Butyl 4-Methyl;1-(tert-butoxycarbonyl)piperidin-4-carboxylic methyl ester;1-(tert-butoxycarbonyl)piperidin-4-carboxylic acid methyl ester;Piperidine-1,4-dicarboxylic acid 1-tert-butyl 4-methyl ester;1-(tert-butyl) 4-methyl tetrahydro-1,4(2h)-pyridinedicarboxylate;4-(Methoxycarbonyl)piperidine-1-carboxylic acid tert-butyl ester;piperidine-1,4-dicarboxylic acid 1-tert-butyl ester 4 methyl ester;piperidine-1,4-dicarboxylic acid 1-tert-butyl ester 4-methyl ester

Chemical Property of 1-Tert-butyl 4-methyl piperidine-1,4-dicarboxylate

Chemical Property:

• Vapor Pressure: 3.83E-06mmHg at 25°C
• Melting Point: 33.0 to 37.0 °C
• Boiling Point: 307.4 °C at 760 mmHg
• PKA: -2.29±0.40(Predicted)
• Flash Point: 139.7 °
• PSA: 55.84000
• Density: 1.094 g/cm³
• LogP: 1.74440
• Storage Temp.: Inert atmosphere,Room Temperature
• Solubility.: soluble in Methanol
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 243.14705815
• Heavy Atom Count: 17
• Complexity: 287

Purity/Quality:

98% Min ^*data from raw suppliers

Methyl(1-BOC-piperidin-4-yl)carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)N1CCC(CC1)C(=O)OC

Technology Process of 1-Tert-butyl 4-methyl piperidine-1,4-dicarboxylate

There total 12 articles about 1-Tert-butyl 4-methyl piperidine-1,4-dicarboxylate 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%

isonipecotic acid methyl ester (2971-79-1) + di-tert-butyl dicarbonate (24424-99-5) → 1-tert-Butyl 4-methyl piperidine-1,4-dicarboxylate (124443-68-1)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In tetrahydrofuran; at 65 ℃; for 17h;

DOI:10.1016/j.bmcl.2007.07.022

Reference yield: 97.0%

dipercarbonate de O,O-t-butyle (3236-56-4) → 1-tert-Butyl 4-methyl piperidine-1,4-dicarboxylate (124443-68-1)

Guidance literature:

In dichloromethane;

Reference yield: 96.0%

methanol (67-56-1) + isonipecotic acid (498-94-2) + di-tert-butyl dicarbonate (24424-99-5) → 1-tert-Butyl 4-methyl piperidine-1,4-dicarboxylate (124443-68-1)

Guidance literature:

methanol; isonipecotic acid; With hydrogenchloride; at 20 ℃; for 1h;

di-tert-butyl dicarbonate; With triethylamine; In dichloromethane; at 0 - 20 ℃;

upstream raw materials:

methyl piperidine-4-carboxylate hydrochloride

2,2-dimethylpropanoic anhydride

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

methyl iodide

Downstream raw materials:

4-methyl-piperidine-1,4-dicarboxylic acid 1-tert-butyl ester 4-methyl ester

tert-butyl 4-(3-isopropyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxylate

4-biphenyl-4-ylmethyl-piperidine-1,4-dicarboxylic acid mono-tert-butyl ester

C₂₁H₃₀N₂O₄

Refernces

• 1、 -. "COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES". Paragraph 0382-0384. . Retrieved 2021/04/23.
• 2、 -. "Preparation method of 2-(4-piperidyl)-2-propanol and hydrochloride thereof". Paragraph 0032-0034. . Retrieved 2020/09/12.