cis-1-(Tert-butoxycarbonyl)-3-methylpiperidine-4-carboxylic acid

Base Information

• Chemical Name: cis-1-(Tert-butoxycarbonyl)-3-methylpiperidine-4-carboxylic acid
• CAS No.: 1207267-93-3
• Molecular Weight: 243.3
• European Community (EC) Number: 868-960-0
• Mol file: 1207267-93-3.mol

Synonyms:1932477-21-8;(3S,4S)-1-[(tert-butoxy)carbonyl]-3-methylpiperidine-4-carboxylic acid;cis-1-(tert-butoxycarbonyl)-3-methylpiperidine-4-carboxylic acid;(3S,4S)-3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid;cis-1-n-boc-3-methyl-piperidine-4-carboxylic acid;cis-1-[(tert-Butoxy)carbonyl]-3-methylpiperidine-4-carboxylic acid;(3S,4S)-1-Boc-3-methyl-piperidine-4-carboxylic acid;SCHEMBL2158178;MFCD31743398;AKOS025296282;AS-78890;CS-0184550;P20865;EN300-7070524;(3S,4S)-1-Boc-3-methylpiperidine-4-carboxylic acid;(3S,4S)-1-(tert-Butoxycarbonyl)-3-methylpiperidine-4-carboxylic acid;(3S,4S)-1-[(t-Butoxy)carbonyl]-3-methylpiperidine-4-carboxylic acid;rac-(3R,4R)-1-[(tert-butoxy)carbonyl]-3-methylpiperidine-4-carboxylic acid

Chemical Property of cis-1-(Tert-butoxycarbonyl)-3-methylpiperidine-4-carboxylic acid

Chemical Property:

• 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:

95-99% ^*data from raw suppliers

cis-1-N-Boc-3-methyl-isonipecoticAcid ^*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
• Isomeric SMILES: C[C@@H]1CN(CC[C@@H]1C(=O)O)C(=O)OC(C)(C)C

Technology Process of cis-1-(Tert-butoxycarbonyl)-3-methylpiperidine-4-carboxylic acid

There total 23 articles about cis-1-(Tert-butoxycarbonyl)-3-methylpiperidine-4-carboxylic 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: 90.0%

di-tert-butyl dicarbonate (24424-99-5) + cis-4-carboxy-3-methylpiperidinium chloride → 1-(tert-butoxycarbonyl)-3-methylpiperidine-4-carboxylic acid (1207267-93-3,1414958-09-0)

Guidance literature:

With sodium hydroxide; In water; at 20 ℃;

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 ℃;

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:

1-[(tert-butoxy)carbonyl]-3-methylpiperidine-4-carboxylic acid

trans-N-Boc-3-methylpiperidine-4-carboxylic acid

cis-N-BOC-3-methylpiperidine-4-carboxylic acid methyl ester

(3R,4R)-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.