N-(pyridin-3-ylcarbonyl)valine

Base Information

• Chemical Name: N-(pyridin-3-ylcarbonyl)valine
• CAS No.: 17274-85-0
• Molecular Formula: C11H14 N2 O3
• Molecular Weight: 222.2405
• NSC Number: 172198
• DSSTox Substance ID: DTXSID60305861
• ChEMBL ID: CHEMBL1865219
• Mol file: 17274-85-0.mol

Synonyms:N-(pyridin-3-ylcarbonyl)valine;17274-85-0;3-methyl-2-(pyridine-3-carbonylamino)butanoic acid;Nicotinoylvaline;NSC172198;BAS 00369858;Oprea1_322604;Oprea1_653702;MLS000713576;SCHEMBL1411650;CHEMBL1865219;DTXSID60305861;HMS2625F21;BBL008742;MFCD00455384;STL122959;AKOS000125960;AKOS016055138;NSC-172198;SMR000273057;VS-01980;CS-0314237;SR-01000311582;3-methyl-2-[(pyridin-3-yl)formamido]butanoic acid;SR-01000311582-1;N-(Pyridin-3-ylcarbonyl)valine (Nicotinoyl-DL-Val-OH)

Chemical Property of N-(pyridin-3-ylcarbonyl)valine

Chemical Property:

• Vapor Pressure: 3.94E-10mmHg at 25°C
• Boiling Point: 482.8°Cat760mmHg
• Flash Point: 245.8°C
• Density: 1.205g/cm³
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 222.10044231
• Heavy Atom Count: 16
• Complexity: 266

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C(C(=O)O)NC(=O)C1=CN=CC=C1

Technology Process of N-(pyridin-3-ylcarbonyl)valine

There total 4 articles about N-(pyridin-3-ylcarbonyl)valine 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: 99.0%

3-methyl-2-[pyridine-3-carbonyl]amino-butyric acid methyl ester (1255095-38-5) → N-((3-Pyridinyl)carbonyl)-valine (17274-85-0)

Guidance literature:

3-methyl-2-[pyridine-3-carbonyl]amino-butyric acid methyl ester; With water; lithium hydroxide; In tetrahydrofuran; methanol; at 25 ℃; for 2h;

With hydrogenchloride; In water;

Reference yield:

nicotinic acid (59-67-6) → N-((3-Pyridinyl)carbonyl)-valine (17274-85-0)

Guidance literature:

Multi-step reaction with 2 steps

1: 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; 4-methyl-morpholine / dichloromethane / 3 h / 25 °C / Inert atmosphere

2: water; lithium hydroxide / tetrahydrofuran; methanol / 2 h / 25 °C

With 4-methyl-morpholine; water; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; lithium hydroxide; In tetrahydrofuran; methanol; dichloromethane;

Reference yield:

L-valine methyl ester (4070-48-8) → N-((3-Pyridinyl)carbonyl)-valine (17274-85-0)

Guidance literature:

Multi-step reaction with 2 steps

1: 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; 4-methyl-morpholine / dichloromethane / 3 h / 25 °C / Inert atmosphere

2: water; lithium hydroxide / tetrahydrofuran; methanol / 2 h / 25 °C

With 4-methyl-morpholine; water; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; lithium hydroxide; In tetrahydrofuran; methanol; dichloromethane;

upstream raw materials:

nicotinic acid

L-valine methyl ester

3-methyl-2-[pyridine-3-carbonyl]amino-butyric acid methyl ester

Refernces

• 1、 -. "NOVEL COMPOSITIONS FOR REDUCING A? 42 PRODUCTION AND THEIR USE IN TREATING ALZHEIMER'S DISEASE (AD)". . . Retrieved 2011/08/08.
• 2、 -. "Composition containing a penem or carbapenem antibiotic and the use of the same". . . Retrieved 2008/06/13.