6-Morpholinonicotinic Acid

Base Information

• Chemical Name: 6-Morpholinonicotinic Acid
• CAS No.: 120800-52-4
• Molecular Formula: C10H12N2O3
• Molecular Weight: 208.217
• Hs Code.: 29333990
• European Community (EC) Number: 811-672-7
• DSSTox Substance ID: DTXSID60380097
• Wikidata: Q82170155
• Mol file: 120800-52-4.mol

Synonyms:6-Morpholinonicotinic Acid;120800-52-4;6-morpholin-4-ylnicotinic acid;6-morpholin-4-ylpyridine-3-carboxylic acid;6-(morpholin-4-yl)pyridine-3-carboxylic acid;3-Pyridinecarboxylic acid, 6-(4-morpholinyl)-;6-Morpholin-4-yl-nicotinic acid;6-(4-morpholinyl)-3-pyridinecarboxylic acid;Oprea1_188264;SCHEMBL63778;DTXSID60380097;XXDSDFLDYNISKD-UHFFFAOYSA-N;AMY14134;VEA80052;AR3314;BBL011068;MFCD02682034;STK802259;AKOS000215609;6-morpholinonicotinic acid, AldrichCPR;AC-2873;CS-W002955;SDCCGMLS-0065996.P001;NCGC00341181-01;FT-0621256;EN300-25682;AB01332433-02;2Y-0709;A804592;W-205099;Z212171862;6-morpholinopyridine-3-carboxylic acid

Chemical Property of 6-Morpholinonicotinic Acid

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 258-261°
• Refractive Index: 1.585
• Boiling Point: 446.074 °C at 760 mmHg
• PKA: 2.70±0.10(Predicted)
• Flash Point: 223.578 °C
• PSA: 62.66000
• Density: 1.314 g/cm³
• LogP: 0.68140
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 208.08479225
• Heavy Atom Count: 15
• Complexity: 229

Purity/Quality:

98%min ^*data from raw suppliers

6-MorpholinonicotinicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39

MSDS Files:

Useful:

• Canonical SMILES: C1COCCN1C2=NC=C(C=C2)C(=O)O

Technology Process of 6-Morpholinonicotinic Acid

There total 6 articles about 6-Morpholinonicotinic 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: 85.0%

morpholine (110-91-8,99108-56-2) + 6-Chloro-3-pyridinecarboxylic acid (5326-23-8) → 6-morpholin-4-ylpyridine-3-carboxylic acid (120800-52-4)

Guidance literature:

for 18h; Reflux;

Reference yield: 80.0%

methyl 6-morpholinonicotinate (132546-81-7) → 6-morpholin-4-ylpyridine-3-carboxylic acid (120800-52-4)

Guidance literature:

With water; sodium hydroxide; In methanol; at 0 - 20 ℃;

Reference yield:

isopropyl 6-morpholinonicotinate (167640-97-3) → 6-morpholin-4-ylpyridine-3-carboxylic acid (120800-52-4)

Guidance literature:

With sodium hydroxide;

upstream raw materials:

morpholine

6-Chloro-3-pyridinecarboxylic acid

isopropyl 6-morpholinonicotinate

isopropyl 6-chloronicotinate

Downstream raw materials:

4-(5-iodopyridin-2-yl)morpholine

3-{[(6-morpholin-4-yl-pyridine-3-carbonyl)amino]methyl}-4-oxo-1-phenyl-7-trifluoromethyl-1,4-dihydro-[1,8]naphthyridine-2-carboxylic acid methyl ester

7-chloro-3-{[(6-morpholin-4-yl-pyridine-3-carbonyl)amino]methyl}-4-oxo-1-phenyl-1,4-dihydro-quinoline-2-carboxylic acid dimethylamide

7-fluoro-3-{[(6-morpholin-4-yl-pyridine-3-carbonyl)amino]methyl}-4-oxo-1-phenyl-1,4-dihydro-quinoline-2-carboxylic acid methyl ester

Refernces

• 1、 -. "SUBSTITUTED BIPIPERIDINYL DERIVATIVES". Paragraph 0326; 0327; 0328; 0329. . Retrieved 2017/02/28.
• 2、 Ou, Yu,Luo, Min,Dong, Yong-Xi,Su, Hang,Fu, Xiao-Zhong,Cha, Yu-Feng,Zhang, Shun,Zhao, Yong-Long,Li, Yong-Jun,Wang, Yong-Lin. "Permeability of novel 4′-N-substituted (aminomethyl) benzoate-7-substituted nicotinic acid ester derivatives of scutellarein in Caco-2 cells and in an in vitro model of the blood-brain barrier". . p. 2205 - 2213. Retrieved 2016/10/25.