4-(Hydroxymethyl)-1-methylpyridin-1-ium iodide

Base Information

• Chemical Name: 4-(Hydroxymethyl)-1-methylpyridin-1-ium iodide
• CAS No.: 6457-57-4
• Molecular Formula: C7H10NO.I
• Molecular Weight: 251.06500
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID50538303
• Mol file: 6457-57-4.mol

Synonyms:4-(hydroxymethyl)-1-methylpyridinium iodide;6457-57-4;4-(hydroxymethyl)-1-methylpyridin-1-ium iodide;(1-methylpyridin-1-ium-4-yl)methanol;iodide;AS-0018;DTXSID50538303;MFCD00956041;AKOS005071724;CS-0366471;4-(hydroxymethyl)-1-methylpyridin-1-iumiodide;G67398;J-513743

Chemical Property of 4-(Hydroxymethyl)-1-methylpyridin-1-ium iodide

Chemical Property:

• Melting Point: 106 °C
• PSA: 24.11000
• LogP: -2.99260
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 250.98071
• Heavy Atom Count: 10
• Complexity: 77

Purity/Quality:

98%min ^*data from raw suppliers

4-(Hydroxymethyl)-1-methylpyridinium iodide >95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C[N+]1=CC=C(C=C1)CO.[I-]

Technology Process of 4-(Hydroxymethyl)-1-methylpyridin-1-ium iodide

There total 2 articles about 4-(Hydroxymethyl)-1-methylpyridin-1-ium iodide 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: 95.0%

pyridine-4-methanol (586-95-8) + methyl iodide (74-88-4) → 4-(hydroxymethyl)-1-methylpyridin-1-ium iodide (6457-57-4)

Guidance literature:

In methanol; at 20 ℃; for 4h; Reflux;

DOI:10.1021/ol202456d

Reference yield:

→ 4-(hydroxymethyl)-1-methylpyridin-1-ium iodide (6457-57-4)

Guidance literature:

<4>Pyridyl-methanol, Methyliodid, sd. Acn.;

DOI:10.1002/ardp.19662990406

Reference yield:

4-(hydroxymethyl)-1-methylpyridin-1-ium iodide (6457-57-4) → 4-((4-ethanoylphenylcarbamoyloxy)methyl)-1-methylpyridinium trifluoromethanesulfonate (1345959-46-7)

Guidance literature:

Multi-step reaction with 3 steps

1: acetonitrile / -30 °C

2: acetonitrile / 1 h

3: acetonitrile / 60 °C

In acetonitrile;

DOI:10.1021/ol202456d

upstream raw materials:

pyridine-4-methanol

methyl iodide

Downstream raw materials:

1-methyl-4-((phenylcarbamoyloxy)methyl)pyridinium trifluoromethanesulfonate

4-((4-methoxyphenylcarbamoyloxy)methyl)-1-methylpyridinium trifluoromethanesulfonate

4-((4-hydroxyphenylcarbamoyloxy)methyl)-1-methylpyridinium trifluoromethanesulfonate

4-((4-ethanoylphenylcarbamoyloxy)methyl)-1-methylpyridinium trifluoromethanesulfonate

Refernces

• 1、 Edson, Joseph B.,Spencer, Liam P.,Boncella, James M.. "Photorelease of primary aliphatic and aromatic amines by visible-light-induced electron transfer". supporting information; experimental part. p. 6156 - 6159. Retrieved 2012/01/05.
• 2、 Roth,M?hrle. "On the specificity of the TTC-reaction. 5. TTC-reaction of pyridinium-carbinoles and -glycoles". . p. 315 - 320. Retrieved 2007/10/05.