Tert-butyl 4-hydroxy-3,3-dimethylpiperidine-1-carboxylate

Base Information

• Chemical Name: Tert-butyl 4-hydroxy-3,3-dimethylpiperidine-1-carboxylate
• CAS No.: 143306-65-4
• Molecular Formula: C12H23 N O3
• Molecular Weight: 229.32
• European Community (EC) Number: 852-518-9
• DSSTox Substance ID: DTXSID30693848
• Mol file: 143306-65-4.mol

Synonyms:143306-65-4;TERT-BUTYL 4-HYDROXY-3,3-DIMETHYLPIPERIDINE-1-CARBOXYLATE;1-Boc-4-hydroxy-3,3-dimethylpiperidine;1-Boc-3,3-dimethylpiperidin-4-ol;4-Hydroxy-3,3-diMethyl-1-piperidinecarboxylic Acid 1,1-DiMethylethyl Ester;MFCD11977343;SCHEMBL2777507;DTXSID30693848;QZMUVNRDYLNZDA-UHFFFAOYSA-N;AKOS015897865;SB11750;1-Piperidinecarboxylic acid, 4-hydroxy-3,3-dimethyl-, 1,1-dimethylethyl ester;AS-34002;SY042404;CS-0048212;EN300-206514;A808054;1-Boc-4-hydroxy-3,3-dimethylpiperidine, AldrichCPR;t-butyl 4-hydroxy-3,3-dimethylpiperidine-1-carboxylate;Z1505702443;tert-butyl 4-hydroxy-3,3-dimethyl piperidine-1-carboxylate;tert-butyl 4-hydroxy-3,3-dimethyl-piperidine-1-carboxylate;TERT-BUTYL4-HYDROXY-3,3-DIMETHYLPIPERIDINE-1-CARBOXYLATE;4-hydroxy-3,3-dimethyl-piperidine-1-carboxylic acid tert-butyl ester

Chemical Property of Tert-butyl 4-hydroxy-3,3-dimethylpiperidine-1-carboxylate

Chemical Property:

• Boiling Point: 306.3±35.0 °C(Predicted)
• PKA: 14.85±0.40(Predicted)
• PSA: 49.77000
• Density: 1.041±0.06 g/cm3(Predicted)
• LogP: 1.95220
• Storage Temp.: 2-8°C
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 229.16779360
• Heavy Atom Count: 16
• Complexity: 268

Purity/Quality:

99%, ^*data from raw suppliers

4-Hydroxy-3,3-dimethyl-1-piperidinecarboxylicAcid1,1-DimethylethylEster ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(CN(CCC1O)C(=O)OC(C)(C)C)C
• Uses: 4-Hydroxy-3,3-dimethyl-1-piperidinecarboxylic Acid 1,1-Dimethylethyl Ester is a useful synthetic intermediate. It can be used to prepare hydroxyquinoxalinecarboxamides for treatment of blood coagulation disorders.

Technology Process of Tert-butyl 4-hydroxy-3,3-dimethylpiperidine-1-carboxylate

There total 1 articles about Tert-butyl 4-hydroxy-3,3-dimethylpiperidine-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: 100.0%

tert-butyl 3,3-dimethyl-4-oxopiperidine-1-carboxylate (324769-06-4) → tert-butyl 4-hydroxy-3,3-dimethyl-piperidine-1-carboxylate (143306-65-4)

Guidance literature:

With sodium tetrahydroborate; In methanol; at 0 - 20 ℃; for 3h; Inert atmosphere;

Reference yield: 61.0%

tert-butyl 4-hydroxy-3,3-dimethyl-piperidine-1-carboxylate (143306-65-4) + 3-chloro-N-[(2,4-dimethoxyphenyl)methyl]-4-fluoro-N-(1,2,4-thiadiazol-5-yl)benzene-1-sulfonamide → tert-butyl 4-(2-chloro-4-(N-(2,4-dimethoxybenzyl)-N-(1,2,4-thiadiazol-5-yl)sulfamoyl)phenoxy)-3,3-dimethylpiperidine-1-carboxylate

Guidance literature:

tert-butyl 4-hydroxy-3,3-dimethyl-piperidine-1-carboxylate; With lithium hexamethyldisilazane; In tetrahydrofuran; at -78 - 20 ℃; for 1h;

3-chloro-N-[(2,4-dimethoxyphenyl)methyl]-4-fluoro-N-(1,2,4-thiadiazol-5-yl)benzene-1-sulfonamide; In tetrahydrofuran; at -78 - 20 ℃; for 4h;

Reference yield: 47.4%

tert-butyl 4-hydroxy-3,3-dimethyl-piperidine-1-carboxylate (143306-65-4) + 4-Fluoronitrobenzene (350-46-9,178603-76-4) → 3,3-dimethyl-4-(4-nitro-phenoxy)-piperidine-1-carboxylic acid tert-butyl ester (1233228-02-8)

Guidance literature:

tert-butyl 4-hydroxy-3,3-dimethyl-piperidine-1-carboxylate; With sodium hydride; In tetrahydrofuran; mineral oil; at 0 - 20 ℃;

4-Fluoronitrobenzene; In tetrahydrofuran; mineral oil; at 20 ℃;

upstream raw materials:

tert-butyl 3,3-dimethyl-4-oxopiperidine-1-carboxylate

Downstream raw materials:

3,3-dimethyl-4-(4-nitro-phenoxy)-piperidine-1-carboxylic acid tert-butyl ester

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