(3,4-Dimethoxypyridin-2-yl)methanol

Base Information

• Chemical Name: (3,4-Dimethoxypyridin-2-yl)methanol
• CAS No.: 72830-08-1
• Molecular Formula: C8H11NO3
• Molecular Weight: 169.18
• Hs Code.: 2933399090
• European Community (EC) Number: 615-849-8
• UNII: SA96QR55LT
• DSSTox Substance ID: DTXSID50443948
• Wikidata: Q72468503
• Mol file: 72830-08-1.mol

Synonyms:72830-08-1;(3,4-dimethoxypyridin-2-yl)methanol;2-Hydroxymethyl-3,4-dimethoxypyridine;3,4-Dimethoxy-2-pyridinemethanol;3,4-Dimethoxy-2-(hydroxymethyl)pyridine;3,4-Dimethoxy-2-hydroxymethylpyridine;2-Pyridinemethanol, 3,4-dimethoxy-;SA96QR55LT;Pantoprazole Impurity 29;UNII-SA96QR55LT;2-HYDROXY METHYL-3,4-DIMETHOXY PYRIDINE;SCHEMBL1004190;DTXSID50443948;BKTHTLOKUUJKDF-UHFFFAOYSA-N;AMY31600;BCP33652;hydroxymethyl-3,4-dimethoxypyridine;LT0052;MFCD06795941;2-Hydroxymethyl-3,4-dimethoxypryidine;AKOS015891543;PS-6291;2-hydroxymethyl-3,4-dimethoxy-pyridine;AC-14163;BP-10447;CS-0095280;FT-0602554;EN300-2940032;A837635

Chemical Property of (3,4-Dimethoxypyridin-2-yl)methanol

Chemical Property:

• Vapor Pressure: 0.002mmHg at 25°C
• Refractive Index: 1.523
• Boiling Point: 275.516 °C at 760 mmHg
• PKA: 12.73±0.10(Predicted)
• Flash Point: 120.428 °C
• PSA: 51.58000
• Density: 1.171 g/cm³
• LogP: 0.59110
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Solubility.: Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Very Slightly)
• XLogP3: -0.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 169.07389321
• Heavy Atom Count: 12
• Complexity: 132

Purity/Quality:

99% ^*data from raw suppliers

3,4-Dimethoxy-2-pyridinemethanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C(=NC=C1)CO)OC
• Uses: A novel dimethoxypyridyl-substituted derivative as gastric secretion inhibitors.

Technology Process of (3,4-Dimethoxypyridin-2-yl)methanol

There total 14 articles about (3,4-Dimethoxypyridin-2-yl)methanol 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: 91.0%

3,4-dimethoxy-2-methylpyridine N-oxide ? (72830-07-0) → 2-hydroxymethyl-3,4-dimethoxypyridine (72830-08-1)

Guidance literature:

With acetic anhydride; for 4h; Reflux;

Reference yield:

2-acetoxymethyl-3,4-dimethoxypyridine (102625-99-0) → 2-hydroxymethyl-3,4-dimethoxypyridine (72830-08-1)

Guidance literature:

With sodium hydroxide; at 80 ℃; for 2h; Yield given;

DOI:10.1021/jm00084a010

Reference yield:

acetic anhydride (108-24-7) + 3,4-dimethoxy-2-methylpyridine N-oxide ? (72830-07-0) + acetic acid (64-19-7,77671-22-8) → 2-hydroxymethyl-3,4-dimethoxypyridine (72830-08-1)

Guidance literature:

3,4-dimethoxy-2-methylpyridine N-oxide ?; acetic acid; at 75 ℃; Large scale;

acetic anhydride; at 80 - 85 ℃; for 16h; under 690.069 Torr; Large scale;

With sodium hydroxide; at 18 - 55 ℃; for 2h; pH=12 - 13; Temperature; Large scale;

upstream raw materials:

2-acetoxymethyl-3,4-dimethoxypyridine

Maltol

3-methoxy-2-methyl-4-pyrone

3-methoxy-2-methylpyridin-4(1H)-one

Downstream raw materials:

pantoprazole sulfide

5-(difluoromethoxy)-2-[[(3,4-dimethoxy-2-pyridyl)methyl]sulfinyl]-1H-benzimidazole

3,4-dimethoxy-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxymethyl]-pyridine

4-(2-[4-(3,4-dimethoxypyridin-2-yl)methoxyphenyl]pyridin-3-yl)morpholine

Refernces

• 1、 -. "Preparation method of 2-hydroxymethyl-3,4-dimethoxypyridine". Paragraph 0026; 0027-0030; 0032; 0033-0036; 0038; 0039-0042. . Retrieved 2018/07/30.
• 2、 Rajab,Touma,Rudler,Afonso,Seuleiman. "Slow, spontaneous degradation of lansoprazole, omeprazole and pantoprazole tablets: Isolation and structural characterization of the toxic antioxidants 3H-benzimidazole-2-thiones". . p. 749 - 754. Retrieved 2013/10/08.