CID 19706413

Base Information

• Chemical Name: CID 19706413
• CAS No.: 65-22-5
• Molecular Formula: C8H9NO3^.HCl
• Molecular Weight: 203.625
• Hs Code.: 29362500
• Mol file: 65-22-5.mol

Synonyms:

Chemical Property of CID 19706413

Chemical Property:

• Appearance/Colour: White to off-white crystalline powder
• Vapor Pressure: 1.48E-07mmHg at 25°C
• Melting Point: 173 °C (dec.)(lit.)
• Boiling Point: 412.8 °C at 760 mmHg
• Flash Point: 203.5 °C
• PSA: 70.42000
• LogP: 1.20240
• Storage Temp.: −20°C
• Sensitive.: Hygroscopic
• Solubility.: DMSO (Slightly), Methanol (Slightly), Water (Slightly)
• Water Solubility.: Soluble in water and ethanol.
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 203.0349209
• Heavy Atom Count: 13
• Complexity: 162

Purity/Quality:

99% ^*data from raw suppliers

Pyridoxal Hydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 20/21/22-36/37/38
• Safety Statements: 24/25-22-36-26

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: [H+].CC1=NC=C(C(=C1O)C=O)CO.[Cl-]
• Uses: For the labeling of amino acids and their detection in picomolar amounts1; Coenzymes and Cofactors, vol. 1: Vitamin B6, Pyridoxal Phosphate2 Pyridoxal is one of the three natural forms of vitamin B6, along with pyridoxamine and pyridoxine. All of these forms are converted in the human body into a single biologically active form, Pyridoxal 5-phosphate (P991715). Green plants are a natural source of Pyridoxal, and its deficiency in the human body can lead to serious complications such as epilepsy and seizures. Pyridoxal hydrochloride is used in labeling of amino acids for their detection. It finds application in neurotransmitters, sphingolipids and aminolevulinic acid. It is also used as a nutritional agent. It is also applied in research studies like biochemical, drugs and in media supplements.

Technology Process of CID 19706413

There total 3 articles about CID 19706413 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:

pyridoxal hydrochloride (58-56-0) → pyridoxal hydrochloride (65-22-5)

Guidance literature:

With hydrogenchloride; manganese(IV) oxide; In water; at 55 ℃; for 28h; Temperature;

Reference yield:

pyridoxal (66-72-8) → pyridoxal hydrochloride (65-22-5)

Guidance literature:

With hydrogenchloride; In water; at 20 ℃; for 72h;

DOI:10.1021/acs.jpca.6b07898

Reference yield:

Nα-(3-hydroxy-5-hydroxymethyl-2-methyl-pyridin-4-ylmethylene)-histidine (14029-59-5) → pyridoxal hydrochloride (65-22-5) + L-histidine (71-00-1)

Guidance literature:

With buffer solution; In various solvent(s); at 25 ℃; Rate constant;

upstream raw materials:

N^α-(3-hydroxy-5-hydroxymethyl-2-methyl-pyridin-4-ylmethylene)-histidine

pyridoxal

pyridoxal hydrochloride

Downstream raw materials:

(E)-N'-((3-hydroxy-5-(hydroxymethyl)-2-methylpyridin-4-yl)methylene)benzohydrazide

6-methyl-1,7-bis-(4-nitro-benzoyloxy)-1,3-dihydro-furo[3,4-c]pyridine

5-hydroxymethyl-4-[(4-methoxy-benzylimino)-methyl]-2-methyl-pyridin-3-ol

4-tert-Butyl-benzoic acid [1-(3-hydroxy-5-hydroxymethyl-2-methyl-pyridin-4-yl)-meth-(E)-ylidene]-hydrazide

Refernces

• 1、 -. "Synthesis method of pyridoxal phosphate". Paragraph 0023; 0024. . Retrieved 2018/03/01.
• 2、 Crespi, Ayelén Florencia,Vega, Daniel,Chattah, Ana Karina,Monti, Gustavo Alberto,Buldain, Graciela Yolanda,Lázaro-Martínez, Juan Manuel. "Gem-Diol and Hemiacetal Forms in Formylpyridine and Vitamin-B6-Related Compounds: Solid-State NMR and Single-Crystal X-ray Diffraction Studies". . p. 7778 - 7785. Retrieved 2016/10/13.