2-Isopropyl-3-methoxypyrazine

Base Information

• Chemical Name: 2-Isopropyl-3-methoxypyrazine
• CAS No.: 25773-40-4
• Molecular Formula: C8H12N2O
• Molecular Weight: 152.196
• Hs Code.: 29339900
• European Community (EC) Number: 247-256-1,299-837-4
• UNII: 1FL7L111A6
• DSSTox Substance ID: DTXSID4067147
• Nikkaji Number: J126.471K
• Wikipedia: Isopropyl_methoxy_pyrazine
• Wikidata: Q424957
• Metabolomics Workbench ID: 48998
• ChEMBL ID: CHEMBL96852
• Mol file: 25773-40-4.mol

Synonyms:2-isopropyl-3-methoxypyrazine;2-methoxy-3-isopropylpyrazine;3-isopropyl-2-methoxypyrazine

Chemical Property of 2-Isopropyl-3-methoxypyrazine

Chemical Property:

• Appearance/Colour: colorless clear liquid
• Vapor Pressure: 0.274mmHg at 25°C
• Refractive Index: n20/D 1.494(lit.)
• Boiling Point: 210.8 °C at 760 mmHg
• PKA: 0.81±0.10(Predicted)
• Flash Point: 66.7 °C
• PSA: 35.01000
• Density: 1.014 g/cm³
• LogP: 1.60860
• Storage Temp.: room temp
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 152.094963011
• Heavy Atom Count: 11
• Complexity: 117

Purity/Quality:

99% ^*data from raw suppliers

2-Isopropyl-3-methoxypyrazine >98.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,T,F
• Statements: 36/37/38-39/23/24/25-23/24/25-11
• Safety Statements: 26-36/37/39-24/25-45-36/37-16-7-36/37/38

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C1=NC=CN=C1OC

Technology Process of 2-Isopropyl-3-methoxypyrazine

There total 5 articles about 2-Isopropyl-3-methoxypyrazine 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: 89.0%

2-hydroxy-3-isopropyl-pyrazine (25680-59-5) + methyl iodide (74-88-4) → 2-Isopropyl-3-methoxypyrazine (25773-40-4)

Guidance literature:

With sodium hydride; In tetrahydrofuran; at 20 ℃; for 48h;

DOI:10.1002/jlcr.664

Reference yield:

2-amino-3-methylbutanamide hydrochloride (93169-29-0) → 2-Isopropyl-3-methoxypyrazine (25773-40-4)

Guidance literature:

Multi-step reaction with 2 steps

1: 75 percent / NaOH / methanol; H₂O / -35 - 20 °C

2: 89 percent / NaH / tetrahydrofuran / 48 h / 20 °C

With sodium hydroxide; sodium hydride; In tetrahydrofuran; methanol; water;

DOI:10.1002/jlcr.664

Reference yield:

2-hydroxy-3-isopropyl-pyrazine (25680-59-5) → 2-Isopropyl-3-methoxypyrazine (25773-40-4)

Guidance literature:

Multi-step reaction with 2 steps

1: trichlorophosphate

2: sodium acetate

With sodium acetate; trichlorophosphate;

DOI:10.1002/jlcr.1888

upstream raw materials:

2-hydroxy-3-isopropyl-pyrazine

methyl iodide

2-amino-3-methylbutanamide hydrochloride

methanol

Downstream raw materials:

2-hydroxy-3-isopropyl-pyrazine

2-(1-hydroxy-1-methylethyl)-3-methoxypyrazine

Refernces

• 1、 -. "Imidazo[1,2-a]pyridine-ylmethyl-derivatives and their use as flavoring agents". . . Retrieved 2015/03/03.
• 2、 Gerritsma, David A.,Brindle, Ian D.,Jones, Timothy R.B.,Capretta, Alfredo. "Preparation of labelled 2-methoxy-3-alkylpyrazines: Synthesis and characterization of deuterated 2-methoxy-3-isopropylyrazine and 2-methoxy-3-isobutylpyrazine". . p. 243 - 253. Retrieved 2007/10/03.