(3,5-Dimethylpyridin-2-yl)methanol

Base Information

• Chemical Name: (3,5-Dimethylpyridin-2-yl)methanol
• CAS No.: 202932-05-6
• Molecular Formula: C8H11 N O
• Molecular Weight: 137.18
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID30442636
• Wikidata: Q82260021
• ChEMBL ID: CHEMBL3303870
• Mol file: 202932-05-6.mol

Synonyms:(3,5-dimethylpyridin-2-yl)methanol;202932-05-6;3,5-DIMETHYL-2-PYRIDINEMETHANOL;2-hydroxymethyl-3,5-dimethylpyridine;2-Pyridinemethanol,3,5-dimethyl-(9CI);SCHEMBL1758493;CHEMBL3303870;DTXSID30442636;BBUQQGMZGGFKDP-UHFFFAOYSA-N;MFCD09839185;AKOS006328778;AB53524;CS-T-20589;DS-2446;(3,5-dimethyl-pyridin-2-yl)-methanol;2-PYRIDINEMETHANOL, 3,5-DIMETHYL-;3,5-DIMETHYL-2-HYDROXYMETHYLPYRIDINE;CS-0153273;FT-0667549;O10071;A879729;(3,5-Dimethylpyridin-2-yl)methanol;2-(Hydroxymethyl)-3,5-dimethylpyridine

Chemical Property of (3,5-Dimethylpyridin-2-yl)methanol

Chemical Property:

• Melting Point: 92 °C
• Boiling Point: 257.3±35.0 °C(Predicted)
• PKA: 13.53±0.10(Predicted)
• PSA: 33.12000
• Density: 1.063±0.06 g/cm3(Predicted)
• LogP: 1.19070
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 137.084063974
• Heavy Atom Count: 10
• Complexity: 105

Purity/Quality:

97% ^*data from raw suppliers

3,5-Dimethyl-2-pyridinemethanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(N=C1)CO)C
• Uses: Intermediate in the preparation of Omeprazole metabolites

Technology Process of (3,5-Dimethylpyridin-2-yl)methanol

There total 5 articles about (3,5-Dimethylpyridin-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: 75.0%

acetic acid 3,5-dimethylpyridin-2-ylmethyl ester (206990-64-9) → 2-hydroxymethyl-3,5-dimethylpyridine (202932-05-6)

Guidance literature:

With sodium hydroxide; In methanol; Heating;

DOI:10.1021/jm970165r

Reference yield: 41.0%

methanol (67-56-1) + 1-Methoxy-3,5-Dimethylpyridinium Methyl Sulfate → 2-hydroxymethyl-3,5-dimethylpyridine (202932-05-6)

Guidance literature:

With fac-tris[2-phenylpyridinato-C²,N]iridium(III); sodium hydrogencarbonate; In acetonitrile; for 2h; Irradiation;

DOI:10.1021/acscatal.0c03726

Reference yield:

2,3,5-trimethyl-pyridine (695-98-7) → 2-hydroxymethyl-3,5-dimethylpyridine (202932-05-6)

Guidance literature:

Multi-step reaction with 3 steps

1: 70 percent / mCPBA / CH₂Cl₂ / 0 - 20 °C

2: 100 percent / 90 °C

3: K₂CO₃ / methanol / 50 °C

With potassium carbonate; 3-chloro-benzenecarboperoxoic acid; In methanol; dichloromethane;

DOI:10.1021/jm050752+

upstream raw materials:

acetic acid 3,5-dimethylpyridin-2-ylmethyl ester

2,3,5-trimethyl-pyridine

2,3,5-trimethylpyridine 1-oxide

methanol

Downstream raw materials:

2-(chloromethyl)-3,5-dimethylpyridine

2-chloromethyl-3,5-dimethylpyridine hydrochloride

2-bromomethyl-3,5-dimethylpyridine

2-[4-[1-(2-fluoroethyl)-4-(4-pyridinyl)-1H-pyrazol-3-yl]phenoxymethyl]-3,5-dimethylpyridine succinic acid