Cyclohepta[b]pyrrole, 8-bromo-3-phenyl-

Base Information

• Chemical Name: Cyclohepta[b]pyrrole, 8-bromo-3-phenyl-
• CAS No.: 660867-81-2
• Molecular Formula: C15H10BrN
• Molecular Weight: 284.155
• DSSTox Substance ID: DTXSID90478678
• Nikkaji Number: J1.857.409H,J1.986.860E

Synonyms:660867-81-2;8-BROMO-3-PHENYLCYCLOHEPTA[B]PYRROLE;Cyclohepta[b]pyrrole, 8-bromo-3-phenyl-;DTXSID90478678

Chemical Property of Cyclohepta[b]pyrrole, 8-bromo-3-phenyl-

Chemical Property:

• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 282.99966
• Heavy Atom Count: 17
• Complexity: 249

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=CN=C3C2=CC=CC=C3Br

Technology Process of Cyclohepta[b]pyrrole, 8-bromo-3-phenyl-

There total 1 articles about Cyclohepta[b]pyrrole, 8-bromo-3-phenyl- 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%

3-phenyl-1-azaazulen-8(1H)-one (63724-99-2) → 8-bromo-3-phenyl-1-azaazulene (660867-81-2)

Guidance literature:

With phosphorus(V) oxybromide; at 110 ℃; for 1h;

DOI:10.3987/COM-03-S23

Reference yield: 93.0%

8-bromo-3-phenyl-1-azaazulene (660867-81-2) + sodium thiomethoxide (5188-07-8) → 8-methylthio-3-phenyl-1-azaazulene

Guidance literature:

In tetrahydrofuran; for 2h; Heating;

DOI:10.3987/COM-03-S23

Reference yield: 92.0%

p-toluidine (106-49-0,12221-03-3) + 8-bromo-3-phenyl-1-azaazulene (660867-81-2) → (3-phenyl-1H-cyclohepta[b]pyrrol-8-ylidene)-p-tolyl-amine; hydrobromide

Guidance literature:

In ethanol; for 0.0833333h; Heating;

DOI:10.3987/COM-04-S(P)25

upstream raw materials:

3-phenyl-1-azaazulen-8(1H)-one

Downstream raw materials:

3-phenyl-1-azaazulen-8(1H)-one

3-phenylcycloheptapyrrole

3-phenyl-8-styryl-1-azaazulene

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