4-Pyridoxic acid

Base Information

• Chemical Name: 4-Pyridoxic acid
• CAS No.: 82-82-6
• Molecular Formula: C8H9 N O4
• Molecular Weight: 183.164
• Hs Code.: 2933399090
• European Community (EC) Number: 201-440-8
• NSC Number: 41814
• UNII: 5K18793O8D
• DSSTox Substance ID: DTXSID20861650
• Nikkaji Number: J41.097G
• Wikidata: Q27102382
• Metabolomics Workbench ID: 37027
• Mol file: 82-82-6.mol

Synonyms:4 Pyridoxic Acid;4 Pyridoxinic Acid;4 Pyridoxylic Acid;4-Pyridoxic Acid;4-Pyridoxinic Acid;4-Pyridoxylic Acid;Pyridoxic Acid;Pyridoxinecarboxylic Acid

Chemical Property of 4-Pyridoxic acid

Chemical Property:

• Vapor Pressure: 1.66E-14mmHg at 25°C
• Melting Point: 258-261 °C (dec.)(lit.)
• Boiling Point: 584.5°C at 760 mmHg
• PKA: 0.47±0.25(Predicted)
• Flash Point: 307.3°C
• PSA: 90.65000
• Density: 1.48g/cm³
• LogP: 0.28610
• Storage Temp.: ?20°C
• Solubility.: Aqueous Base (Slightly), Water (Very Slightly)
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 183.05315777
• Heavy Atom Count: 13
• Complexity: 197

Purity/Quality:

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

4-Pyridoxic acid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NC=C(C(=C1O)C(=O)O)CO
• Description: 4-pyridoxic acid is a methylpyridine that is 2-methylpyridine substituted by a hydroxy group at C-3, a carboxy group at C-4, and a hydroxymethyl group at C-5. It is the catabolic product of vitamin B6 and is excreted in the urine. It has a role as a human metabolite and a mouse metabolite. It is a member of methylpyridines, a hydroxymethylpyridine, a monohydroxypyridine and a vitamin B6. It derives from an isonicotinic acid. It is a conjugate acid of a 4-pyridoxate.https://pubchem.ncbi.nlm.nih.gov/compound/4-Pyridoxic-acid
• Uses: 4-Pyridoxic acid is a catabolite of vitamin B6. It has been used as a standard in the clinical spectrometric analysis of metabolites. 4-Pyridoxic Acid, a catabolite of vitamin B6 (P991735), is a water-soluble B-group vitamin that can be used as a urinary diagnostic biomarker for determining the nutritional status of these vitamins.

Technology Process of 4-Pyridoxic acid

There total 13 articles about 4-Pyridoxic 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:

D-Mannose (3458-28-4) + pyridoxamine (85-87-0) → 5-hydroxy-6-methyl-3,4-pyridinedimethanol (65-23-6) + 2-[(3-hydroxy-5-(hydroxymethyl)-2-methylpyridin-4-yl)methylamino]acetic acid (50997-14-3) + pyridoxal (66-72-8) + 4-pyridoxic acid (82-82-6)

Guidance literature:

With sodium azide; In phosphate buffer; at 37 ℃; for 100h; pH=7.4;

DOI:10.1002/kin.20223

Reference yield:

D-Mannose (3458-28-4) + pyridoxamine (85-87-0) → 5-hydroxy-6-methyl-3,4-pyridinedimethanol (65-23-6) + C14H20N2O7 + pyridoxal (66-72-8) + 4-pyridoxic acid (82-82-6)

Guidance literature:

With sodium azide; In phosphate buffer; at 37 ℃; pH=7.4; Kinetics;

DOI:10.1002/kin.20223

Reference yield:

D-Galactose (59-23-4) + pyridoxamine (85-87-0) → 5-hydroxy-6-methyl-3,4-pyridinedimethanol (65-23-6) + C14H20N2O7 + pyridoxal (66-72-8) + 4-pyridoxic acid (82-82-6)

Guidance literature:

With sodium azide; In phosphate buffer; at 37 ℃; pH=7.4; Kinetics;

DOI:10.1002/kin.20223

upstream raw materials:

3-acetoxy-5-acetoxymethyl-2-methyl-isonicotinonitrile

pyridoxal hydrochloride

5-hydroxy-6-methyl-3,4-pyridinedimethanol

pyridoxal

Downstream raw materials:

5-hydroxy-6-methyl-pyridine-3,4-dicarboxylic acid

Refernces

• 1、 Adrover, Miquel,Vilanova, Bartolome,Munoz, Francisco,Donoso, Josefa. "Pyridoxamine, a scavenger agent of carbohydrates". . p. 154 - 167. Retrieved 2008/09/17.
• 2、 Kita,Kita,Wisniewska. "Kinetics and mechanism of oxidation of pyridoxine by Cr2O72- ion in aqueous HClO4 solutions". . p. 354 - 363. Retrieved 2007/10/03.