Isopropylpyrazine

Base Information

• Chemical Name: Isopropylpyrazine
• CAS No.: 29460-90-0
• Molecular Formula: C7H10N2
• Molecular Weight: 122.17
• Hs Code.: 2933990090
• European Community (EC) Number: 249-646-7
• UNII: 14XE115G58
• DSSTox Substance ID: DTXSID5067471
• Nikkaji Number: J250.852D
• Wikidata: Q27251657
• Metabolomics Workbench ID: 49426
• Mol file: 29460-90-0.mol

Synonyms:2-Isopropylpyrazine;29460-90-0;Isopropylpyrazine;2-propan-2-ylpyrazine;(1-Methylethyl)pyrazine;Pyrazine, 2-(1-methylethyl)-;Pyrazine, (1-methylethyl)-;2-Isopropyl pyrazine;UNII-14XE115G58;EINECS 249-646-7;14XE115G58;isopropyl pyrazine;(1-methylethyl)-Pyrazine;2-(propan-2-yl)pyrazine;PYRAZINE, ISOPROPYL-;2-(1-Methylethyl)-Pyrazine;SCHEMBL681871;(1-Methylethyl)pyrazine, 9CI;2-Isopropylpyrazine, AldrichCPR;DTXSID5067471;FEMA NO. 3940;SCHEMBL18431878;SCHEMBL19661169;FEMA 3940;CHEBI:191898;2-ISOPROPYLPYRAZINE [FHFI];MFCD00060871;AKOS006229986;FT-0657047;A819924;W-106988;Q27251657

Chemical Property of Isopropylpyrazine

Chemical Property:

• Appearance/Colour: Colorless to pale yellow clear liquid
• Vapor Pressure: 2.01mmHg at 25°C
• Refractive Index: 1.493
• Boiling Point: 169.8 °C at 760 mmHg
• PKA: 1.51±0.10(Predicted)
• Flash Point: 62.7 °C
• PSA: 25.78000
• Density: 0.969 g/cm³
• LogP: 1.60000
• Storage Temp.: 2-8°C
• XLogP3: 1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 122.084398327
• Heavy Atom Count: 9
• Complexity: 81

Purity/Quality:

99% ^*data from raw suppliers

2-Isopropylpyrazine 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T
• Hazard Codes: T
• Statements: 25
• Safety Statements: 45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C1=NC=CN=C1

Technology Process of Isopropylpyrazine

There total 4 articles about Isopropylpyrazine 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: 70.0%

2-chloropyrazin (14508-49-7) + 2-propylzinc bromide lithium chloride → 2-(1-methylethyl)pyrazine (29460-90-0)

Guidance literature:

With C₂₀H₂₉N₂P*BF₄^(1-)*H⁽¹⁺⁾; palladium diacetate; In tetrahydrofuran; toluene; at 0 - 20 ℃; for 2h; Inert atmosphere;

DOI:10.1021/ol502230p

Reference yield: 36.0%

1,4-pyrazine (290-37-9) + bis-(((isopropyl)sulfinyl)oxy)zinc → 2-(1-methylethyl)pyrazine (29460-90-0)

Guidance literature:

With tert.-butylhydroperoxide; zinc sulfinate; bis(((trifluoromethyl)sulfinyl)oxy)zinc; In water; dimethyl sulfoxide; at 20 - 50 ℃; for 12h; regioselective reaction;

DOI:10.1021/ja406223k

Reference yield: 20.0%

1,4-pyrazine (290-37-9) + isopropyl bromide (75-26-3) → 2-(1-methylethyl)pyrazine (29460-90-0)

Guidance literature:

isopropyl bromide; With magnesium; In tetrahydrofuran; at 0 ℃; for 1h;

1,4-pyrazine; In tetrahydrofuran; at 0 ℃; for 0.25h; Further stages.;

DOI:10.1016/j.tet.2004.03.005

upstream raw materials:

1,4-pyrazine

isopropyl bromide

2-chloropyrazin

Downstream raw materials:

C₇H₁₂N₃⁽¹⁺⁾*C₉H₁₁O₃S^(1-)

C₇H₁₂N₃⁽¹⁺⁾*C₉H₁₁O₃S^(1-)

benzyl-4-(N'-cyano-N-o-tolylcarbamimidoyl)-3-isopropylpiperazine-1-carboxylate

N'-cyano-2-isopropyl-N-(o-tolyl)piperazine-1-carboximidamide

Refernces

• 1、 -. "1H-pyrrole-2,4-dicarbonyl-derivatives and their use as flavoring agents". . . Retrieved 2015/03/03.
• 2、 O'Hara, Fionn,Blackmond, Donna G.,Baran, Phil S.. "Radical-based regioselective C-H functionalization of electron-deficient heteroarenes: Scope, tunability, and predictability". supporting information. p. 12122 - 12134. Retrieved 2013/09/02.