{2-[5-Hydroxy-4-(hydroxymethyl)-6-methylpyridin-3-yl]ethyl}phosphonic acid

Base Information

Chemical Name:{2-[5-Hydroxy-4-(hydroxymethyl)-6-methylpyridin-3-yl]ethyl}phosphonic acid
CAS No.:17985-82-9
Molecular Formula:C9H14NO5P
Molecular Weight:247.1849
Hs Code.:
NSC Number:134710
DSSTox Substance ID:DTXSID30300085
Wikidata:Q27455605
ChEMBL ID:CHEMBL3427370
Mol file:17985-82-9.mol

Synonyms:{2-[5-hydroxy-4-(hydroxymethyl)-6-methylpyridin-3-yl]ethyl}phosphonic acid;17985-82-9;CHEMBL3427370;NSC134710;SCHEMBL4577612;DTXSID30300085;BDBM50084934;NSC-134710;Q27455605;5B0

Suppliers and Price of {2-[5-Hydroxy-4-(hydroxymethyl)-6-methylpyridin-3-yl]ethyl}phosphonic acid

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 3 raw suppliers

Chemical Property of {2-[5-Hydroxy-4-(hydroxymethyl)-6-methylpyridin-3-yl]ethyl}phosphonic acid

Chemical Property:

Vapor Pressure:2.02E-17mmHg at 25°C
Boiling Point:643.2°Cat760mmHg
Flash Point:342.8°C
Density:1.515g/cm³
XLogP3:-1.5
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:247.06095954
Heavy Atom Count:16
Complexity:269

Purity/Quality:: 85.0-99.8% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=NC=C(C(=C1O)CO)CCP(=O)(O)O

Technology Process of {2-[5-Hydroxy-4-(hydroxymethyl)-6-methylpyridin-3-yl]ethyl}phosphonic acid

There total 8 articles about {2-[5-Hydroxy-4-(hydroxymethyl)-6-methylpyridin-3-yl]ethyl}phosphonic 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: 100.0%

: diethyl 2-(3-hydroxy-4-hydroxymethyl-2-methyl-5-pyridyl)ethylphosphonic acid

: 17985-82-9
2-(3-hydroxy-4-hydroxymethyl-2-methyl-5-pyridyl)ethylphosphonic acid

Guidance literature:: diethyl 2-(3-hydroxy-4-hydroxymethyl-2-methyl-5-pyridyl)ethylphosphonic acid; With trimethylsilyl bromide; In dichloromethane; at 20 ℃; Inert atmosphere;

In methanol; for 2h; Inert atmosphere; Reflux;
DOI:10.1016/j.bmcl.2020.127342

Reference yield:

: diethyl 2-(3,4-O-isopropylidene-2-methyl-5-pyridyl)ethenylphosphonate

: 17985-82-9
2-(3-hydroxy-4-hydroxymethyl-2-methyl-5-pyridyl)ethylphosphonic acid

Guidance literature:: Multi-step reaction with 3 steps

1: formic acid / water / 1 h / Reflux

2: palladium 10% on activated carbon; hydrogen / ethanol / 1 h / 20 °C / 760.05 Torr

3: trimethylsilyl bromide / dichloromethane / 20 °C / Inert atmosphere

With formic acid; trimethylsilyl bromide; palladium 10% on activated carbon; hydrogen; In ethanol; dichloromethane; water;
DOI:10.1016/j.bmc.2015.02.049

Reference yield:

: 65-23-6
5-hydroxy-6-methyl-3,4-pyridinedimethanol

: 17985-82-9
2-(3-hydroxy-4-hydroxymethyl-2-methyl-5-pyridyl)ethylphosphonic acid

Guidance literature:: Multi-step reaction with 6 steps

1: sulfuric acid / dichloromethane / 6 h / 45 °C / Inert atmosphere

2: manganese(IV) oxide / dichloromethane / 2 h / 20 °C

3: sodium hydride / cyclohexane; mineral oil / 20 °C

4: formic acid / water / 1 h / Reflux

5: palladium 10% on activated carbon; hydrogen / ethanol / 1 h / 20 °C / 760.05 Torr

6: trimethylsilyl bromide / dichloromethane / 20 °C / Inert atmosphere

With manganese(IV) oxide; formic acid; trimethylsilyl bromide; sulfuric acid; palladium 10% on activated carbon; hydrogen; sodium hydride; In ethanol; dichloromethane; cyclohexane; water; mineral oil; 3: |Wittig Olefination;
DOI:10.1016/j.bmc.2015.02.049