(4-Methoxy-3,5-dimethylpyridin-2-yl)methyl acetate

Base Information

• Chemical Name: (4-Methoxy-3,5-dimethylpyridin-2-yl)methyl acetate
• CAS No.: 91219-90-8
• Molecular Formula: C11H15NO3
• Molecular Weight: 209.245
• European Community (EC) Number: 620-697-0
• DSSTox Substance ID: DTXSID30407987
• Nikkaji Number: J261.922I
• Wikidata: Q82213342
• Mol file: 91219-90-8.mol

Synonyms:91219-90-8;(4-methoxy-3,5-dimethylpyridin-2-yl)methyl acetate;2-(Acetoxymethyl)-4-methoxy-3,5-dimethylpyridine;(4-methoxy-3,5-dimethyl-pyridin-2-yl)methyl Acetate;SCHEMBL7952261;DTXSID30407987;OKIMSBLHXKXTTE-UHFFFAOYSA-N;MFCD03701547;BS-17827;CS-0162842;2-acetoxymethyl-3,5-dimethyl-4-methoxypyridine;(4-methoxy-3,5-dimethyl-2-pyridyl)methyl acetate;(4-Methoxy-3,5-dimethyl-2-pyridinyl)methyl acetate;(4-methoxy-3,5-dimethylpyridin-2-yl)methylacetate;4-Methoxy-3,5-dimethyl-2-pyridinemethanol acetate (ester);Acetic acid (4-methoxy-3,5-dimethylpyridin-2-yl)methyl ester

Chemical Property of (4-Methoxy-3,5-dimethylpyridin-2-yl)methyl acetate

Chemical Property:

• Melting Point: 45.5-49.5oC(lit.)
• Boiling Point: 293.2±35.0 °C(Predicted)
• PKA: 5.72±0.47(Predicted)
• Flash Point: >230 °F
• PSA: 48.42000
• Density: 1.089±0.06 g/cm3(Predicted)
• LogP: 1.77010
• Storage Temp.: Inert atmosphere,Room Temperature
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 209.10519334
• Heavy Atom Count: 15
• Complexity: 220

Purity/Quality:

98.5% ^*data from raw suppliers

(4-Methoxy-3,5-dimethylpyridin-2-yl)methylacetate 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CN=C(C(=C1OC)C)COC(=O)C
• Uses: Des-ethylsulfinyl-methoxybenzoimidazole 2-Acetyloxy Esomeprazole is an impurity of Esomeprazole Magnesium (E668300), an S-Form of Omeprazole (O635000). Gastric proton-pump inhibitor.

Technology Process of (4-Methoxy-3,5-dimethylpyridin-2-yl)methyl acetate

There total 7 articles about (4-Methoxy-3,5-dimethylpyridin-2-yl)methyl acetate 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-methoxy-3,5-dimethylpyridin-2-yl)methanol (86604-78-6) + (4-methoxy-3,5-dimethyl-pyridin-2-yl)methyl acetate (91219-90-8)

Guidance literature:

Reference yield:

4-methoxy-2,3,5-trimethylpyridine 1-oxide (86604-80-0) → (4-methoxy-3,5-dimethyl-pyridin-2-yl)methyl acetate (91219-90-8)

Guidance literature:

With 2-(Dimethylamino)pyridine; In dichloromethane; water; acetic anhydride;

Reference yield:

acetic anhydride (108-24-7) + 4-methoxy-2,3,5-trimethylpyridine 1-oxide (86604-80-0) → (4-methoxy-3,5-dimethyl-pyridin-2-yl)methyl acetate (91219-90-8)

Guidance literature:

at 90 ℃; for 2h;

DOI:10.1021/jm00084a010

upstream raw materials:

acetic anhydride

4-methoxy-2,3,5-trimethylpyridine 1-oxide

2,3,5-trimethyl-pyridine

2,3,5-trimethyl-4-nitropyridine N-oxide

Downstream raw materials:

2-(chloromethyl)-4-methoxy-3,5-dimethylpyridine hydrochloride

2-Hydroxymethyl-4-methoxy-3,5-dimethylpyridine hydrochloride

2-(4-Methoxy-3,5-dimethyl-pyridin-2-ylmethanesulfinyl)-6-(4-methoxy-phenyl)-3H-thieno[3,4-d]imidazole

2-(4-Methoxy-3,5-dimethyl-pyridin-2-ylmethylsulfanyl)-6-(4-methoxy-phenyl)-3H-thieno[3,4-d]imidazole

Refernces

• 1、 Kühler, Thomas C.,Swanson, Marianne,Shcherbuchin, Vladimir,Larsson, H?kan,Mellg?rd, Bj?rn,Sj?str?m, Jan-Eric. "Structure-activity relationship of 2-[[(2-Pyridyl)methyl]thio]-1H- benzimidazoles as anti Helicobacter pylori agents in vitro and evaluation of their in vivo efficacy". . p. 1777 - 1788. Retrieved 2007/10/03.
• 2、 Kohl,Sturm,Senn-Bilfinger,Simon,Kruger,Schaefer,Rainer,Figala,Klemm. "(H+,K+)-ATPase inhibiting 2-[(2-pyridylmethyl)sulfinyl]benzimidazoles. 4. A novel series of dimethoxypyridyl-substituted inhibitors with enhanced selectivity. The selection of pantoprazole as a clinical candidate". . p. 1049 - 1057. Retrieved 2007/10/02.