4,5-Bis(hydroxymethyl)-2-methyl-3-pyridinol; hydron; chloride

Base Information

• Chemical Name: 4,5-Bis(hydroxymethyl)-2-methyl-3-pyridinol; hydron; chloride
• CAS No.: 58-56-0
• Molecular Formula: C8H11NO3^.ClH
• Molecular Weight: 205.641
• Hs Code.: 29362500
• Mol file: 58-56-0.mol

Synonyms:AKOS026749988;A831923;4,5-bis(hydroxymethyl)-2-methyl-3-pyridinol;hydron;chloride;4,5-bis(hydroxymethyl)-2-methyl-pyridin-3-ol

Chemical Property of 4,5-Bis(hydroxymethyl)-2-methyl-3-pyridinol; hydron; chloride

Chemical Property:

• Appearance/Colour: Crystalline
• Melting Point: 214-215 °C(lit.)
• Refractive Index: 1.5800 (estimate)
• Boiling Point: 491.9 °C at 760 mmHg
• Flash Point: 251.3 °C
• PSA: 73.58000
• Density: 1.2784 (rough estimate)
• LogP: 0.88220
• Storage Temp.: 2-8°C
• Sensitive.: Light Sensitive
• Solubility.: H2O: 0.1 g/mL at 20 °C, clear, colorless
• Water Solubility.: 0.1 g/mL (20 ºC)
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 205.0505709
• Heavy Atom Count: 13
• Complexity: 142

Purity/Quality:

99% ^*data from raw suppliers

Pyridoxine Hydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,T,F
• Statements: 36/37/38-39/23/24/25-23/24/25-11
• Safety Statements: 26-37/39-45-36/37-16-7-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: [H+].CC1=NC=C(C(=C1O)CO)CO.[Cl-]
• Uses: Pyridoxine is one of the vitamins of the B6 complex; present in many foodstuffs (yeast, liver and cereals). Pyridoxine has a role in transporting protein Bsu1, Pyridoxine contributes to thiamine uptak e; characterization of thiamine (vitamin B1) transporter Thi9 from Schizosaccharomyces pombe. Pyridoxine Hydrochloride is an acid form of vitamin b6, a water- soluble vitamin. it is soluble in water, and slightly soluble in alco- hol. it is slowly affected by sunlight and is reasonably stable in air. it has a ph of 2.3–3.5. it is also termed vitamin b6 hydrochloride. see pyridoxine.
• Clinical Use: Vitamin B6
• Drug interactions: Potentially hazardous interactions with other drugs None known

Technology Process of 4,5-Bis(hydroxymethyl)-2-methyl-3-pyridinol; hydron; chloride

There total 37 articles about 4,5-Bis(hydroxymethyl)-2-methyl-3-pyridinol; hydron; chloride 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%

pyridoxine triacetate (10030-93-0) → pyridoxal hydrochloride (58-56-0)

Guidance literature:

With hydrogenchloride; In water; for 2h; Heating;

DOI:10.1002/hlca.19840670513

Reference yield: 93.4%

5-hydroxy-6-methylpyridine-3,4-dicarboxylic acid diethyl ester (2397-71-9) → pyridoxal hydrochloride (58-56-0)

Guidance literature:

5-hydroxy-6-methylpyridine-3,4-dicarboxylic acid diethyl ester; With sodium tetrahydroborate; iron(II) sulfate; N,N-dimethyl-aniline; In tetrahydrofuran; for 4h; Reflux;

With hydrogenchloride; In tetrahydrofuran; at 20 ℃; Reagent/catalyst; Solvent;

Reference yield: 92.0%

4,5-dihydroxymethyl-2-methyl-2-cyclopentenone → pyridoxal hydrochloride (58-56-0)

Guidance literature:

4,5-dihydroxymethyl-2-methyl-2-cyclopentenone; With ozone; In methanol; water; at -30 ℃; for 3h;

With ammonia; In methanol; water; at 20 - 25 ℃; for 3h;

With hydrogenchloride; pyrographite; In ethanol; at 55 - 60 ℃; for 1h; Temperature; Solvent;

upstream raw materials:

pyridoxine triacetate

3-amino-4,5-bis(aminomethyl)2-methylpyridine trihydrochloride

2-Methyl-3-hydroxy-4,5-bis-(bromomethyl)-pyridine hydrobromide

Thiamine hydrochloride

Downstream raw materials:

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

3-hydroxy-4,5-bis-hydroxymethyl-2-methyl-1-phenacyl-pyridinium; bromide

(5-(benzyloxy)-4,6-dimethylpyridin-3-yl)methanol

5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridylmethyl dihydrogen phosphate

Refernces

• 1、 Parnell, Carol A.,Peter,Vollhardt. "The cobalt way to vitamin B6. Regioselective construction of the tetrasubstituted pyridine nucleus by cobalt-catalyzed alkyne-nitrile cooligomerizations". . p. 5791 - 5796. Retrieved 1985.
• 2、 -. "A process for preparing vitamin B by the malic acid6 The method of". Paragraph 0032; 0048-0049; 0054; 0059. . Retrieved 2018/03/26.
• 3、 -. "Vitamin B6 synthesis method (by machine translation)". Paragraph 0082-0083. . Retrieved 2017/09/12.