6-(Hydroxymethyl)nicotinic acid

Base Information

• Chemical Name: 6-(Hydroxymethyl)nicotinic acid
• CAS No.: 775545-30-7
• Molecular Formula: C7H7NO3
• Molecular Weight: 153.137
• Hs Code.: 2933399090
• European Community (EC) Number: 961-563-4
• DSSTox Substance ID: DTXSID00563367
• Wikidata: Q82447793
• Mol file: 775545-30-7.mol

Synonyms:6-(Hydroxymethyl)nicotinic acid;775545-30-7;6-(HYDROXYMETHYL)PYRIDINE-3-CARBOXYLIC ACID;6-(hydroxymethyl)-3-pyridinecarboxylic acid;3-Pyridinecarboxylic acid, 6-(hydroxymethyl)-;MFCD11977430;6-Hydroxymethylpyridine-3-carboxylic acid;SCHEMBL150492;6-(Hydroxymethyl)nicotinicacid;6-Hydroxymethyl-nicotinic acid;DTXSID00563367;HJDYJONTIWRYOB-UHFFFAOYSA-N;AMY41951;AKOS016011959;CS-W006873;PB43455;SY113240;TS-02032;EN300-146051;P18087;A839133;Z1255396331

Chemical Property of 6-(Hydroxymethyl)nicotinic acid

Chemical Property:

• Boiling Point: 369.551 °C at 760 mmHg
• PKA: 2.16±0.10(Predicted)
• Flash Point: 177.299 °C
• PSA: 70.42000
• Density: 1.405 g/cm³
• LogP: 0.27210
• Storage Temp.: 2-8°C
• XLogP3: -0.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 153.042593085
• Heavy Atom Count: 11
• Complexity: 149

Purity/Quality:

97% ^*data from raw suppliers

6-(Hydroxymethyl)nicotinicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=NC=C1C(=O)O)CO

Technology Process of 6-(Hydroxymethyl)nicotinic acid

There total 3 articles about 6-(Hydroxymethyl)nicotinic 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:

methyl 6-(hydroxymethyl)nicotinate (56026-36-9) → 6-(hydroxymethyl)pyridine-3-carboxylic acid (775545-30-7)

Guidance literature:

methyl 6-(hydroxymethyl)nicotinate; With methanol; sodium hydroxide; water; at 80 ℃; for 1h;

With hydrogenchloride; water; In methanol; at 20 - 25 ℃; pH=7.0;

Reference yield:

methyl 6-(acetoxymethyl)nicotinate (63362-34-5) → 6-(hydroxymethyl)pyridine-3-carboxylic acid (775545-30-7)

Guidance literature:

With hydrogenchloride; sodium hydroxide; In methanol;

Reference yield:

→ 6-(hydroxymethyl)pyridine-3-carboxylic acid (775545-30-7)

Guidance literature:

upstream raw materials:

methyl 6-(hydroxymethyl)nicotinate

methyl 6-(acetoxymethyl)nicotinate

Downstream raw materials:

N-(2-t-Butoxycarbonylaminophenyl)-6-hydroxymethylpyridine-3-carboxylic acid amide