1-(Methoxycarbonyl)piperidine-2-carboxylic acid

Base Information

• Chemical Name: 1-(Methoxycarbonyl)piperidine-2-carboxylic acid
• CAS No.: 134902-40-2
• Molecular Formula: C8H13NO4
• Molecular Weight: 187.19
• DSSTox Substance ID: DTXSID40458682
• Nikkaji Number: J1.304.220I
• Mol file: 134902-40-2.mol

Synonyms:134902-40-2;1-(METHOXYCARBONYL)PIPERIDINE-2-CARBOXYLIC ACID;1-methoxycarbonylpiperidine-2-carboxylic Acid;1-(methoxycarbonyl)-2-piperidinecarboxylic acid;1-(Methoxycarbonyl)piperidine-2-carboxylicacid;SCHEMBL9176935;DTXSID40458682;MFCD11128998;AKOS000204234;SB42671;BS-36849;CS-0337704;Piperidine-1,2-dicarboxylic acid 1-methyl ester;1,2-Piperidinedicarboxylic acid, 1-methyl ester

Chemical Property of 1-(Methoxycarbonyl)piperidine-2-carboxylic acid

Chemical Property:

• PSA: 66.84000
• LogP: 0.62980
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 187.08445790
• Heavy Atom Count: 13
• Complexity: 216

Purity/Quality:

98%min ^*data from raw suppliers

1-(Methoxycarbonyl)-2-piperidinecarboxylicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)N1CCCCC1C(=O)O

Technology Process of 1-(Methoxycarbonyl)piperidine-2-carboxylic acid

There total 2 articles about 1-(Methoxycarbonyl)piperidine-2-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: 97.0%

methyl chloroformate (79-22-1) + pipecolic Acid (4043-87-2,83680-83-5) → (+/-)-[(N-methoxycarbonyl)piperidine]-2-carboxylic acid (134902-40-2)

Guidance literature:

With sodium hydroxide; at 20 ℃; for 14h; pH=8 - 9; Inert atmosphere;

DOI:10.1002/ejoc.200900726

Reference yield:

1,2-bis(methoxycarbonyl)piperidine (182012-49-3) → (+/-)-[(N-methoxycarbonyl)piperidine]-2-carboxylic acid (134902-40-2)

Guidance literature:

With potassium hydroxide; In methanol; water; for 10h; Ambient temperature;

DOI:10.1021/jo00252a048

Reference yield: 67.0%

(+/-)-[(N-methoxycarbonyl)piperidine]-2-carboxylic acid (134902-40-2) + allyl-trimethyl-silane (762-72-1) → methyl 2-(2-propenyl)piperidinecarboxylate (133127-73-8)

Guidance literature:

(+/-)-[(N-methoxycarbonyl)piperidine]-2-carboxylic acid; With [bis(acetoxy)iodo]benzene; iodine; In dichloromethane; at 20 ℃; for 3h;

allyl-trimethyl-silane; With boron trifluoride diethyl etherate; at 0 - 20 ℃; for 3h;

DOI:10.1016/S0040-4039(00)00306-3

upstream raw materials:

1,2-bis(methoxycarbonyl)piperidine

methyl chloroformate

pipecolic Acid

Downstream raw materials:

methyl 2-(2-propenyl)piperidinecarboxylate