Cyclohepta[b]pyrrol-2-amine

Base Information

• Chemical Name: Cyclohepta[b]pyrrol-2-amine
• CAS No.: 3336-74-1
• Molecular Formula: C9H8N2
• Molecular Weight: 144.176
• DSSTox Substance ID: DTXSID50456477
• Nikkaji Number: J775.618F,J2.777.152A

Synonyms:Cyclohepta[b]pyrrol-2-amine;3336-74-1;1-Azaazulene-2-amine;DTXSID50456477;AKOS006370179

Chemical Property of Cyclohepta[b]pyrrol-2-amine

Chemical Property:

• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 144.068748264
• Heavy Atom Count: 11
• Complexity: 136

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C=C(N=C2C=C1)N

Technology Process of Cyclohepta[b]pyrrol-2-amine

There total 2 articles about Cyclohepta[b]pyrrol-2-amine 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: 11.0%

cycloheptapyrrol-2-ylhydrazine (102363-24-6) → 2-aminocycloheptapyrrole (3336-74-1) + 3,4-diphenyl-3,4-dihydro-2H-1,4a-diazabenzazulen-2-one + 4H-2,3-diphenyl-1,4a-diazabenzazulen-4-one + (Z)-3-<(1-azaazulen-2-yl)amino>-2,3-diphenylpropenamide (159889-10-8)

Guidance literature:

With diphenylcyclopropenone; In acetonitrile; for 3h; Heating;

DOI:10.1246/bcsj.67.2487

Reference yield: 11.0%

2,3-diphenylcyclopropenone (52730-95-7) + cycloheptapyrrol-2-ylhydrazine (102363-24-6) → 2-aminocycloheptapyrrole (3336-74-1) + 3,4-diphenyl-3,4-dihydro-2H-1,4a-diazabenzazulen-2-one + 4H-2,3-diphenyl-1,4a-diazabenzazulen-4-one + (Z)-3-<(1-azaazulen-2-yl)amino>-2,3-diphenylpropenamide (159889-10-8)

Guidance literature:

In acetonitrile; for 3h; Heating;

DOI:10.1246/bcsj.67.2487

Reference yield: 95.0%

4-acetylphenyl isocyanate (49647-20-3) + 2-aminocycloheptapyrrole (3336-74-1) + dibromotriphenylphosphorane (1034-39-5) → 3-(4-acetyl-phenyl)-2-(4-acetyl-phenylimino)-2,3-dihydro-1,3,4a-triaza-benzo[a]azulen-4-one

Guidance literature:

2-aminocycloheptapyrrole; dibromotriphenylphosphorane; With triethylamine; In benzene; at 20 ℃; for 24h;

4-acetylphenyl isocyanate; In benzene; at 20 ℃; for 8h;

DOI:10.3987/COM-05-S(T)33

upstream raw materials:

2,3-diphenylcyclopropenone

cycloheptapyrrol-2-ylhydrazine

Downstream raw materials:

3-phenylcyclohepta[4,5]pyrrolo[1,2-a]-1,3,5-triazine-2,4(3H)-dione

bis(diphenyl)urea

<(1-azaazulene-2-yl)imino>triphenylphosphorane

2-amino-3-(phenylethynyl)-1-azaazulene

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