4-Amino-1-methylpiperidine-4-carboxylic acid

Base Information

• Chemical Name: 4-Amino-1-methylpiperidine-4-carboxylic acid
• CAS No.: 15580-66-2
• Molecular Formula: C₇H₁₄N₂O₂
• Molecular Weight: 158.2
• Hs Code.: 2933399090
• NSC Number: 117761
• DSSTox Substance ID: DTXSID30297749
• Mol file: 15580-66-2.mol

Synonyms:15580-66-2;4-amino-1-methylpiperidine-4-carboxylic acid;4-AMINO-1-METHYL-4-PIPERIDINECARBOXYLIC ACID;4-amino-1-methyl-piperidine-4-carboxylic acid;4-Piperidinecarboxylic acid, 4-amino-1-methyl-;MFCD00154385;NSC117761;4-amino-l-methylpiperidine-4-carboxylic acid;SCHEMBL1527385;DTXSID30297749;AKOS000190837;NSC 117761;NSC-117761;SB33912;LS-04980;4-amino-1-methylpiperidine-4-carboxylicacid;4-amino1-methylpiperidine-4-carboxylic acid;CS-0312789;FT-0648408;4-amino-1-methyl-4-piperidine carboxylic acid;A25768;EN300-124215;4-AMINO-1-METHYL-4-PIPERIDINECARBOXYLICACID;4-Amino-1-methyl-4-piperidinecarboxylic acid, AldrichCPR

Chemical Property of 4-Amino-1-methylpiperidine-4-carboxylic acid

Chemical Property:

• Vapor Pressure: 0.00107mmHg at 25°C
• Melting Point: 286℃ (DEC.)
• Boiling Point: 279.5°Cat760mmHg
• PKA: 0.84±0.20(Predicted)
• Flash Point: 122.8°C
• PSA: 66.56000
• Density: 1.165g/cm³
• LogP: 0.13230
• XLogP3: -3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 158.105527694
• Heavy Atom Count: 11
• Complexity: 162

Purity/Quality:

98%,99%, ^*data from raw suppliers

4-amino-1-methylpiperidine-4-carboxylicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1CCC(CC1)(C(=O)O)N

Technology Process of 4-Amino-1-methylpiperidine-4-carboxylic acid

There total 4 articles about 4-Amino-1-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: 100.0%

4-amino-1-methyl-piperidine 4-carbonitrile (123194-00-3) → 4-amino-1-methyl-4-piperidinecarboxylic acid (15580-66-2)

Guidance literature:

With hydrogenchloride; water; In 1,4-dioxane; for 8h; Inert atmosphere; Reflux;

DOI:10.1021/acscombsci.6b00005

Reference yield: 95.0%

→ 4-amino-1-methyl-4-piperidinecarboxylic acid (15580-66-2)

Guidance literature:

Reference yield:

8-methyl-1,3,8-triazaspiro<4.5>decane-2,4-dione (52094-69-6) → 4-amino-1-methyl-4-piperidinecarboxylic acid (15580-66-2)

Guidance literature:

With barium dihydroxide; In water; at 160 ℃; for 3h;

DOI:10.1021/jm061066t

upstream raw materials:

8-methyl-1,3,8-triazaspiro<4.5>decane-2,4-dione

1-Methyl-4-piperidone

4-amino-1-methyl-piperidine 4-carbonitrile

Downstream raw materials:

methyl 4-amino-1-methyl-4-piperidinecarboxylate

Refernces

• 1、 Fish, Paul V.,Barber, Christopher G.,Brown, David G.,Butt, Richard,Collis, Michael G.,Dickinson, Roger P.,Henry, Brian T.,Horne, Valerie A.,Huggins, John P.,King, Elizabeth,O'Gara, Margaret,McCleverty, Dawn,McIntosh, Fraser,Phillips, Christopher,Webster, Robert. "Selective urokinase-type plasminogen activator inhibitors. 4. 1-(7-Sulfonamidoisoquinolinyl)guanidines". . p. 2341 - 2351. Retrieved 2008/02/03.
• 2、 -. "Spiro compounds containing five-membered rings". . . Retrieved 2008/06/13.