Methyl Piperidine-3-carboxylate Hydrochloride

Base Information

• Chemical Name: Methyl Piperidine-3-carboxylate Hydrochloride
• CAS No.: 89895-55-6
• Molecular Formula: C7H13NO2^.HCl
• Molecular Weight: 179.647
• Hs Code.: 2933399090
• European Community (EC) Number: 866-139-1
• DSSTox Substance ID: DTXSID00585862
• Mol file: 89895-55-6.mol

Synonyms:Methyl Piperidine-3-carboxylate Hydrochloride;89895-55-6;Methyl nipecotate hydrochloride;Piperidine-3-carboxylic acid methyl ester hydrochloride;Methyl piperidine-3-carboxylate, HCl;MFCD01861791;METHYL PIPERIDINE-3-CARBOXYLATE HCL;methyl piperidine-3-carboxylate;hydrochloride;MFCD08274539;MFCD09271813;METHYLPIPERIDINE-3-CARBOXYLATEHYDROCHLORIDE;3-Piperidinecarboxylic acid, methyl ester, hydrochloride;SCHEMBL21224938;DTXSID00585862;AB1541;AKOS015897856;AC-7249;SB10236;SB10237;SB10238;AS-11236;SY005351;SY042324;SY107600;CS-0042814;EN300-34590;A843372;Methyl (R)-Piperidine-3-carboxylate Hydrochloride;methyl (s)-piperidine-3-carboxylate hydrochloride;Methyl piperidine-3-carboxylate--hydrogen chloride (1/1)

Chemical Property of Methyl Piperidine-3-carboxylate Hydrochloride

Chemical Property:

• Vapor Pressure: 0.0408mmHg at 25°C
• Boiling Point: 235.3 °C at 760 mmHg
• Flash Point: 96.1 °C
• PSA: 38.33000
• LogP: 1.28980
• Storage Temp.: Sealed in dry,Room Temperature
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 179.0713064
• Heavy Atom Count: 11
• Complexity: 125

Purity/Quality:

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

Methylpiperidine-3-carboxylateHydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1CCCNC1.Cl
• Uses: Methyl Piperidine-3-carboxylate Hydrochloride is used in preparation of indazole carboxamides as RIPK1 kinase inhibitors.

Technology Process of Methyl Piperidine-3-carboxylate Hydrochloride

There total 3 articles about Methyl Piperidine-3-carboxylate Hydrochloride 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: 98.0%

methanol (67-56-1) + nipecotic acid (498-95-3,262853-93-0) → methyl piperidine-3-carboxylate hydrochloride (89895-55-6,1255651-12-7)

Guidance literature:

With thionyl chloride; at 0 - 20 ℃; for 3h;

Reference yield:

nicotinic acid (59-67-6) → methyl piperidine-3-carboxylate hydrochloride (89895-55-6,1255651-12-7)

Guidance literature:

Multi-step reaction with 2 steps

1: hydrogen; hydrochloric acid / PtO₂ / H₂O / 50 h / 20 °C / 3750.3 Torr

2: thionyl chloride / 3 h / Heating

With hydrogenchloride; thionyl chloride; hydrogen; platinum(IV) oxide; In water;

DOI:10.1016/j.tetasy.2007.01.027

Reference yield:

methanol (67-56-1) + piperidine-3-carboxylic acid hydrochloride (6034-80-6) → methyl piperidine-3-carboxylate hydrochloride (89895-55-6,1255651-12-7)

Guidance literature:

With thionyl chloride; for 3h; Heating;

DOI:10.1016/j.tetasy.2007.01.027

upstream raw materials:

methanol

nipecotic acid

piperidine-3-carboxylic acid hydrochloride

nicotinic acid

Downstream raw materials:

1-(tert-butyl) 3-methyl piperidine-1,3-dicarboxylate

N-acetyl-piperidine-3-carboxylic acid methyl ester

3-{[1-(3-Pyridin-4-yl-propionyl)-piperidine-3-carbonyl]-amino}-propionic acid benzyl ester

<<<1-(6-Boc-aminocaproyl)piperid-3-yl>methyl>amino>propionic acid benzyl ester

Refernces

• 1、 Walter, Matthias,Maas, Gerhard. "Novel betaines of the hexaalkylguanidinio-carboxylate type". scheme or table. p. 1617 - 1624. Retrieved 2010/06/22.
• 2、 Tamura,Matsushita,Iwama,Harada,Kishimoto,Itoh. "Synthesis and biological activity of (S)-2-amino-3-(2,5-dihydro-5-oxo-4-isoxazolyl)propanoic acid (TAN-950 A) derivatives". . p. 1199 - 1212. Retrieved 2007/10/02.