N-Boc-3-methyl-4-piperidinecarboxylic acid

Base Information

• Chemical Name: N-Boc-3-methyl-4-piperidinecarboxylic acid
• CAS No.: 512822-50-3
• Molecular Formula: C12H21NO4
• Molecular Weight: 243.303
• Hs Code.: 2933399090
• European Community (EC) Number: 805-004-3,849-887-3
• Mol file: 512822-50-3.mol

Synonyms:N-Boc-3-methyl-4-piperidinecarboxylic acid;512822-50-3;1-(tert-Butoxycarbonyl)-3-methylpiperidine-4-carboxylic acid;1-N-Boc-3-methyl-piperidine-4-carboxylic acid;3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic Acid;1-[(tert-butoxy)carbonyl]-3-methylpiperidine-4-carboxylic acid;CIS-1-N-BOC-3-METHYL-ISONIPECOTICACID;MFCD15071836;MFCD23131258;MFCD26938568;MFCD31743398;1414958-09-0;(3R,4R)-1-Boc-3-methylpiperidine-4-carboxylic acid;(3R,4S)-1-Boc-3-methylpiperidine-4-carboxylic acid;(3S,4S)-1-Boc-3-methylpiperidine-4-carboxylic acid;SCHEMBL408313;cis-1-[(tert-Butoxy)carbonyl]-3-methylpiperidine-4-carboxylic acid;ZFQQTPBWJCJGSV-UHFFFAOYSA-N;MFCD03426147;AKOS023567890;AB44961;SB15717;SB15718;SB33370;AS-50449;SY344331;SY344332;SY344333;SY344334;CS-0054438;N-Boc-3-methyl-4-piperidine carboxylic acid;EN300-206913;P10263;Z1505690927;3-methyl-piperidine-1,4-dicarboxylic acid 1-tert-butyl ester;cis-1-[(tert-butoxy)carbonyl]-3-methylpiperidine-4- carboxylic acid

Chemical Property of N-Boc-3-methyl-4-piperidinecarboxylic acid

Chemical Property:

• Boiling Point: 359.5±35.0 °C(Predicted)
• PKA: 4.57±0.40(Predicted)
• PSA: 66.84000
• Density: 1.121±0.06 g/cm3(Predicted)
• LogP: 1.90200
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 243.14705815
• Heavy Atom Count: 17
• Complexity: 308

Purity/Quality:

NLT 98% ^*data from raw suppliers

N-Boc-3-methyl-4-piperidinecarboxylicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1CN(CCC1C(=O)O)C(=O)OC(C)(C)C
• Uses: N-Boc-3-methyl-4-piperidinecarboxylic Acid is a boc protected 3-methyl-4-piperidinecarboxylic Acid which is used in the preparation of indazole and pyrrolopyridine derivatives. These derivatives are useful in the treatment of Alzheimer-type dementia as 5-HT4 receptor agonists.

Technology Process of N-Boc-3-methyl-4-piperidinecarboxylic acid

There total 11 articles about N-Boc-3-methyl-4-piperidinecarboxylic acid 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: 63.0%

1-tert-butyl 4-methyl 3-methylpiperidine-1,4-dicarboxylate (1824505-67-0) → 1-[(tert-butoxy)carbonyl]-3-methylpiperidine-4-carboxylic acid (512822-50-3,1207267-93-3,1414958-09-0)

Guidance literature:

With water; sodium hydroxide; In methanol; at 20 ℃; for 12h;

Reference yield:

di-tert-butyl dicarbonate (24424-99-5) + 3-methylpyridine-4-carboxylic acid hydrochloride (577993-80-7) → 1-[(tert-butoxy)carbonyl]-3-methylpiperidine-4-carboxylic acid (512822-50-3,1207267-93-3,1414958-09-0)

Guidance literature:

3-methylpyridine-4-carboxylic acid hydrochloride; With hydrogen; rhodium; In methanol; at 50 ℃; for 120h; under 7600.51 Torr;

di-tert-butyl dicarbonate; With sodium hydroxide; In water; at 20 ℃;

Reference yield:

di-tert-butyl dicarbonate (24424-99-5) + 3-methylpyridine-4-carboxylic acid hydrochloride (577993-80-7) → 1-[(tert-butoxy)carbonyl]-3-methylpiperidine-4-carboxylic acid (512822-50-3,1207267-93-3,1414958-09-0)

Guidance literature:

3-methylpyridine-4-carboxylic acid hydrochloride; With hydrogen; rhodium; In methanol; at 50 ℃; for 120h; under 7600.51 Torr;

di-tert-butyl dicarbonate; With sodium hydroxide; In water; at 20 ℃;

upstream raw materials:

C₁₂H₂₁NO₃

1-(tert-butoxycarbonyl)-3-methylpiperidine-4-carboxylic acid

3-methylpiperidine-4-carboxylic acid hydrochloride

di-tert-butyl dicarbonate

Downstream raw materials:

4-[4-(4-fluoro-3-trifluoromethylphenyl)-1H-imidazol-2-yl]-3-methylpiperidine-1-carboxylic acid tert-butyl ester

(3R,4R)-1-(tert-butoxycarbonyl)-3-methylpiperidine-4-carboxylic acid

(3S,4S)-1-(tert-butoxycarbonyl)-3-methylpiperidine-4-carboxylic acid

Refernces

• 1、 -. "ARYLMETHYLENE HETEROCYCLIC COMPOUNDS AS KV1.3 POTASSIUM SHAKER CHANNEL BLOCKERS". Paragraph 0549; 0553; 0554. . Retrieved 2021/04/17.
• 2、 -. "COMPOUNDS USEFUL FOR ALTERING THE LEVELS OF BILE ACIDS FOR THE TREATMENT OF DIABETES AND CARDIOMETABOLIC DISEASE". Page/Page column 56; 57. . Retrieved 2018/03/09.