1-Methyl-2-(methylthio)-4,5-dihydro-1H-imidazole hydroiodide

Base Information

• Chemical Name: 1-Methyl-2-(methylthio)-4,5-dihydro-1H-imidazole hydroiodide
• CAS No.: 61076-89-9
• Molecular Formula: C5H10N2S.HI
• Molecular Weight: 258.1237
• Hs Code.: 2933290090
• European Community (EC) Number: 875-522-2
• DSSTox Substance ID: DTXSID90484037
• Mol file: 61076-89-9.mol

Synonyms:1-Methyl-2-(methylthio)-4,5-dihydro-1H-imidazole hydroiodide;61076-89-9;1-methyl-2-methylsulfanyl-4,5-dihydroimidazole;hydroiodide;1-methyl-2-(methylsulfanyl)-4,5-dihydro-1H-imidazole hydroiodide;C5H11IN2S;SCHEMBL690382;DTXSID90484037;GBQRICLUHNYAPT-UHFFFAOYSA-N;MFCD13195407;AKOS015853586;DS-0756;EN300-1704109;A868814;1-methyl-2-methylmercapto-2-imidazoline.hydroiodide;Z1269243967

Chemical Property of 1-Methyl-2-(methylthio)-4,5-dihydro-1H-imidazole hydroiodide

Chemical Property:

• Vapor Pressure: 0.0152mmHg at 25°C
• Boiling Point: 250.2°C at 760 mmHg
• Flash Point: 105.1°C
• PSA: 40.90000
• LogP: 1.02250
• Storage Temp.: 2-8°C(protect from light)
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 257.96877
• Heavy Atom Count: 9
• Complexity: 111

Purity/Quality:

97% ^*data from raw suppliers

1-Methyl-2-(methylthio)-4,5-dihydro-1H-imidazole hydroiodide 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1CCN=C1SC.I

Technology Process of 1-Methyl-2-(methylthio)-4,5-dihydro-1H-imidazole hydroiodide

There total 2 articles about 1-Methyl-2-(methylthio)-4,5-dihydro-1H-imidazole hydroiodide 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: 77.0%

N-methylimidazolidine-2-thione (13431-10-2) + methyl iodide (74-88-4) → 1-methyl-2-(methylthio)-2-imidazoline hydroiodide (61076-89-9)

Guidance literature:

In acetone; at 20 ℃; for 4h;

Reference yield:

→ 1-methyl-2-(methylthio)-2-imidazoline hydroiodide (61076-89-9)

Guidance literature:

/BRN= 107747/ (9) u. MeI;

DOI:10.1016/0040-4020(76)85017-X

Reference yield:

(S)-tert-butyl 2-(5-(4'-(2-((S)-1-((S)-2-amino-3-methylbutanoyl)pyrrolidin-2-yl)-1H-imidazol-5-yl)biphenyl-4-yl)-1H-imidazol-2-yl)pyrrolidine-1-carboxylate (1007884-34-5) + 1-methyl-2-(methylthio)-2-imidazoline hydroiodide (61076-89-9) → (S)-tert-butyl 2-(5-(4'-(2-((S)-1-((S)-3-methyl-2-(1-methyl-4-5-dihydroimidazol-2-ylamino)butanoyl)pyrrolidin-2-yl)-1H-imidazol-5-yl)biphenyl-4-yl)-1H-imidazol-2-yl)pyrrolidine-1-carboxylate

Guidance literature:

In acetonitrile; at 90 ℃; for 24h;

upstream raw materials:

N-methylimidazolidine-2-thione

methyl iodide

Downstream raw materials:

1-methyl-2-benzhydryliminoimidazolidine.hydroiodide

Refernces

• 1、 -. "HEPATITIS C VIRUS INHIBITORS". Page/Page column 223. . Retrieved 2009/10/09.
• 2、 -. "Hepatitis C Virus Inhibitors". Page/Page column 135-136. . Retrieved 2008/06/13.