6,7-DIHYDRO-2-PHENYL-5H-PYRROLO[2,1-C]-1,2,4-TRIAZOLIUM CHLORIDE

Base Information

• Chemical Name: 6,7-DIHYDRO-2-PHENYL-5H-PYRROLO[2,1-C]-1,2,4-TRIAZOLIUM CHLORIDE
• CAS No.: 828914-68-7
• Molecular Formula: C11H12 N3 . Cl
• Molecular Weight: 221.689
• Hs Code.: 2933990090
• Mol file: 828914-68-7.mol

Synonyms:5H-Pyrrolo[2,1-c]-1,2,4-triazolium,6,7-dihydro-2-phenyl-, chloride (9CI)

Chemical Property of 6,7-DIHYDRO-2-PHENYL-5H-PYRROLO[2,1-C]-1,2,4-TRIAZOLIUM CHLORIDE

Chemical Property:

• Melting Point: 180-184 °C
• PSA: 21.70000
• LogP: -1.89000
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C

Purity/Quality:

99% ^*data from raw suppliers

6,7-Dihydro-2-phenyl-5H-pyrrolo[2,1-c]-1,2,4-triazolium chloride, min. 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 6,7-DIHYDRO-2-PHENYL-5H-PYRROLO[2,1-C]-1,2,4-TRIAZOLIUM CHLORIDE

There total 3 articles about 6,7-DIHYDRO-2-PHENYL-5H-PYRROLO[2,1-C]-1,2,4-TRIAZOLIUM CHLORIDE 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: 72.0%

2-pyrrolidinon (616-45-5) + phenylhydrazine (100-63-0) + dimethyl sulfate (77-78-1) + trimethyl orthoformate (149-73-5) → 2,5,6,7-tetrahydro-2-phenyl-3H-pyrrolo[2,1-c]-1,2,4-triazol-3-ylidenium chloride (828914-68-7)

Guidance literature:

2-pyrrolidinon; dimethyl sulfate; In acetonitrile; at 80 ℃; for 17h;

phenylhydrazine; In acetonitrile; at 80 ℃; for 4h;

trimethyl orthoformate; Further stages;

DOI:10.1002/anie.201004619

Reference yield:

CH4O4S*C10H13N3 (862095-78-1) + trimethyl orthoformate (149-73-5) → 2,5,6,7-tetrahydro-2-phenyl-3H-pyrrolo[2,1-c]-1,2,4-triazol-3-ylidenium chloride (828914-68-7)

Guidance literature:

CH₄O₄S*C₁₀H₁₃N₃; With potassium hydroxide; In dichloromethane; water;

With hydrogenchloride; In methanol; water;

trimethyl orthoformate; With hydrogenchloride; In methanol; water; Reflux;

DOI:10.1021/ja804150k

Reference yield:

N-(4,5-dihydro-3H-pyrrol-2-yl)-N'-phenyl-hydrazine + formaldehyd (50-00-0,30525-89-4,61233-19-0) → 2,5,6,7-tetrahydro-2-phenyl-3H-pyrrolo[2,1-c]-1,2,4-triazol-3-ylidenium chloride (828914-68-7)

Guidance literature:

With hydrogenchloride; In 1,2-dichloro-benzene; at 120 ℃; for 12h;

DOI:10.1021/jo050645n

upstream raw materials:

formaldehyd

CH₄O₄S*C₁₀H₁₃N₃

trimethyl orthoformate

2-pyrrolidinon

Downstream raw materials:

(2,5,6,7-tetrahydro-2-phenyl-3H-pyrrolo[2,1-c]-1,2,4-triazol-3-ylidene)AgCl

2-phenyl-1,2,4-triazol-3-ylidene borane

C₁₁H₁₁⁽²⁾H₃BN₃

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