(5-Hydroxy-4,6-dimethylpyridin-3-YL)methyl dihydrogen phosphate

Base Information

• Chemical Name: (5-Hydroxy-4,6-dimethylpyridin-3-YL)methyl dihydrogen phosphate
• CAS No.: 883-84-1
• Molecular Formula: C₈H₁₂NO₅P
• Molecular Weight: 233.161
• Hs Code.: 2933399090
• NSC Number: 29870
• DSSTox Substance ID: DTXSID60236944
• Nikkaji Number: J1.643.303I
• Wikidata: Q27464474
• Metabolomics Workbench ID: 78527
• ChEMBL ID: CHEMBL1235333
• Mol file: 883-84-1.mol

Synonyms:4-deoxypyridoxine 5'-phosphate;deoxypyridoxine-P

Chemical Property of (5-Hydroxy-4,6-dimethylpyridin-3-YL)methyl dihydrogen phosphate

Chemical Property:

• Boiling Point: 567.6oC at 760 mmHg
• Flash Point: 297.1oC
• PSA: 109.69000
• Density: 1.499g/cm3
• LogP: 1.01330
• XLogP3: -0.7
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 233.04530948
• Heavy Atom Count: 15
• Complexity: 255

Purity/Quality:

99%, ^*data from raw suppliers

4-Deoxypyridoxine5'-phosphate ≥98.0% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=NC=C1COP(=O)(O)O)C)O

Technology Process of (5-Hydroxy-4,6-dimethylpyridin-3-YL)methyl dihydrogen phosphate

There total 4 articles about (5-Hydroxy-4,6-dimethylpyridin-3-YL)methyl dihydrogen phosphate 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:

→ 4-Deoxypyridoxin-5'-phosphat (883-84-1)

Guidance literature:

With phosphoric acid; water; phosphorus pentoxide; at 60 ℃;

DOI:10.1021/ja01630a045

Reference yield:

4-deoxypyridoxine (61-67-6) → 4-Deoxypyridoxin-5'-phosphat (883-84-1)

Guidance literature:

With sodium hydroxide; water; trichlorophosphate;

Reference yield:

acetic acid-(5-benzyloxy-4,6-dimethyl-[3]pyridylmethyl ester) → 4-Deoxypyridoxin-5'-phosphat (883-84-1)

Guidance literature:

With phosphoric acid; toluene;

DOI:10.1039/jr9540003854

upstream raw materials:

4-deoxypyridoxine

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