6-Bromo-8-(methylthio)imidazo[1,2-A]pyrazine

Base Information

• Chemical Name: 6-Bromo-8-(methylthio)imidazo[1,2-A]pyrazine
• CAS No.: 887475-71-0
• Molecular Formula: C7H6BrN3S
• Molecular Weight: 244.115
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID70693105
• Nikkaji Number: J3.141.242K
• Wikidata: Q72448074
• Mol file: 887475-71-0.mol

Synonyms:6-BROMO-8-(METHYLTHIO)IMIDAZO[1,2-A]PYRAZINE;887475-71-0;6-bromo-8-methylsulfanylimidazo[1,2-a]pyrazine;6-Bromo-8-methylsulfanyl-imidazo[1,2-a]pyrazine;6-Bromo-8-methylthioimidazo[1,2-a]pyrazinamine;6-Bromo-8-(methylsulfanyl)imidazo[1,2-a]pyrazine;SCHEMBL104884;DTXSID70693105;HWUMJZFDFAFXKB-UHFFFAOYSA-N;CS-M3158;MFCD11100003;AKOS016002675;AM807655;AS-36141;FT-0714845

Chemical Property of 6-Bromo-8-(methylthio)imidazo[1,2-A]pyrazine

Chemical Property:

• PKA: 1.46±0.30(Predicted)
• PSA: 55.49000
• Density: 1.81
• LogP: 2.21370
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 242.94658
• Heavy Atom Count: 12
• Complexity: 169

Purity/Quality:

99%, ^*data from raw suppliers

6-Bromo-8-(methylthio)imidazo[1,2-a]pyrazine 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CSC1=NC(=CN2C1=NC=C2)Br

Technology Process of 6-Bromo-8-(methylthio)imidazo[1,2-A]pyrazine

There total 2 articles about 6-Bromo-8-(methylthio)imidazo[1,2-A]pyrazine 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: 95.0%

6,8-dibromoimidazo[1,2-a]pyrazine (63744-22-9) + sodium thiomethoxide (5188-07-8) → 6-bromo-8-methylsulfanyl-imidazo[1,2-a]pyrazine (887475-71-0)

Guidance literature:

In methanol; at 20 ℃;

Reference yield:

6,8-dibromoimidazo[1,2-a]pyrazine hydrobromide (1057261-12-7) + sodium thiomethoxide (5188-07-8) → 6-bromo-8-methylsulfanyl-imidazo[1,2-a]pyrazine (887475-71-0)

Guidance literature:

In methanol; at 20 ℃; for 2h;

Reference yield: 98.0%

6-bromo-8-methylsulfanyl-imidazo[1,2-a]pyrazine (887475-71-0) + phenylboronic acid (98-80-6) → 8-(methylthio)-6-phenylimidazo[1,2-a]pyrazine (1383120-22-6)

Guidance literature:

With palladium diacetate; caesium carbonate; triphenylphosphine; In 1,4-dioxane; at 90 ℃; Inert atmosphere;

DOI:10.1021/ol3029059

upstream raw materials:

6,8-dibromoimidazo[1,2-a]pyrazine hydrobromide

sodium thiomethoxide

6,8-dibromoimidazo[1,2-a]pyrazine

Downstream raw materials:

6-bromo-3-iodo-8-methylsulfanyl-imidazo[1,2-a]pyrazine

C₁₇H₁₈N₄O₂S

C₁₇H₁₈N₄O₂S

C₁₇H₁₃ClN₆O₂

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