2-Amino-3-benzyl-5-(4-methoxyphenyl)pyrazine

Base Information

• Chemical Name: 2-Amino-3-benzyl-5-(4-methoxyphenyl)pyrazine
• CAS No.: 40040-81-1
• Molecular Formula: C18H17 N3 O
• Molecular Weight: 291.352
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID00461733
• Nikkaji Number: J774.233I
• Wikidata: Q82286129
• Mol file: 40040-81-1.mol

Synonyms:40040-81-1;2-AMINO-3-BENZYL-5-(4-METHOXYPHENYL)PYRAZINE;3-benzyl-5-(4-methoxyphenyl)pyrazin-2-amine;5-(4-methoxyphenyl)-3-(phenylmethyl)-2-pyrazinamine;SCHEMBL935338;DTXSID00461733;FT-0611046;2-Amino-3-benzyl-5-[4-methoxyphenyl]pyraxine;A824864;5-(4-methoxyphenyl)-3-(phenylmethyl)pyrazin-2-amine;6-IODO-IMIDAZO[1,2-A]PYRIDINE-2-CARBOXYLICACID

Chemical Property of 2-Amino-3-benzyl-5-(4-methoxyphenyl)pyrazine

Chemical Property:

• Vapor Pressure: 1.08E-08mmHg at 25°C
• Boiling Point: 461.4°C at 760 mmHg
• PKA: 3.27±0.10(Predicted)
• Flash Point: 232.8°C
• PSA: 61.03000
• Density: 1.18g/cm³
• LogP: 3.90640
• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 291.137162174
• Heavy Atom Count: 22
• Complexity: 324

Purity/Quality:

98%min ^*data from raw suppliers

2-AMINO-3-BENZYL-5-(4-METHOXYPHENYL)PYRAZINE 95.00% ^*data from reagent suppliers

Safty Information:

• Safety Statements: S22:Do not inhale dust.; S24/25:Avoid contact with skin and eyes.

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)C2=CN=C(C(=N2)CC3=CC=CC=C3)N

Technology Process of 2-Amino-3-benzyl-5-(4-methoxyphenyl)pyrazine

There total 22 articles about 2-Amino-3-benzyl-5-(4-methoxyphenyl)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: 88.0%

4-methoxyphenylboronic acid (5720-07-0) + 2-amino-5-bromo-3-phenylmethylpyrazine (174680-55-8) → 2-amino-3-benzyl-5-(4-methoxyphenyl)-pyrazine (40040-81-1)

Guidance literature:

With bis(benzonitrile)palladium(II) dichloride; sodium carbonate; 1,4-di(diphenylphosphino)-butane; In ethanol; water; toluene; for 4h; Heating;

DOI:10.1080/00304940109356615

Reference yield: 49.0%

2-N-(p-toluenesulfonyl)amide-3-benzyl-5-(4-methoxyphenyl)-pyrazine (671240-63-4) → 2-amino-3-benzyl-5-(4-methoxyphenyl)-pyrazine (40040-81-1)

Guidance literature:

With sulfuric acid; at 0 ℃; for 0.333333h;

DOI:10.1016/j.tet.2003.11.052

Reference yield: 36.0%

2-amino-5-bromo-3-phenylmethylpyrazine (174680-55-8) → 2-amino-3-benzyl-5-(4-methoxyphenyl)-pyrazine (40040-81-1)

Guidance literature:

With bis(benzonitrile)palladium(II) dichloride; [1,4-bis(diphenylphosphino)butane] palladium(ll) dichloride; potassium carbonate; In water; toluene; at 20 - 109 ℃; for 8h; Inert atmosphere;

DOI:10.1039/c7ob01554b

upstream raw materials:

3-benzyl-5-(4-methoxy-phenyl)-1-oxy-pyrazin-2-ylamine

4-methoxyphenylboronic acid

2-amino-5-bromo-3-phenylmethylpyrazine

2-N-(p-toluenesulfonyl)amide-3-benzyl-5-(4-methoxyphenyl)-pyrazine

Downstream raw materials:

N-[3-benzyl-5-(4-methoxy-phenyl)-pyrazin-2-yl]-acetamide

2,8-dibenzyl-6-(4-hydroxyphenyl)imidazo[1,20-a]pyrazin-3(7H)one

2-(phenylmethyl)-6-(4-methoxyphenyl)-8-benzylimidazo[1,2-a]pyrazin-3(7H)-one

1-[3-benzyl-5-(4-hydroxyphenyl)pyrazin-2-yl]-3-(4-hydroxyphenyl)urea

Refernces

• 1、 Jiang, Tianyu,Yang, Xingye,Zhou, Yubin,Yampolsky, Ilia,Du, Lupei,Li, Minyong. "New bioluminescent coelenterazine derivatives with various C-6 substitutions". . p. 7008 - 7018. Retrieved 2017/09/01.
• 2、 -. "IMIDAZO[1,2-α]PYRAZIN-3(7H)-ONE DERIVATIVES BEARING A NEW ELECTRON-RICH STRUCTURE". Page/Page column 27-28. . Retrieved 2011/02/24.