Cyclohepta[b]pyrrole

Base Information

• Chemical Name: Cyclohepta[b]pyrrole
• CAS No.: 275-68-3
• Molecular Formula: C9H7 N
• Molecular Weight: 129.161
• DSSTox Substance ID: DTXSID50550005
• Nikkaji Number: J688.988C
• Mol file: 275-68-3.mol

Synonyms:cyclohepta[b]pyrrole;275-68-3;azaazulene;cyclohepta[b]pyrrol;SCHEMBL1533669;DTXSID50550005;LMBQFLQKKMVTMV-UHFFFAOYSA-N;AKOS006370460

Chemical Property of Cyclohepta[b]pyrrole

Chemical Property:

• Boiling Point: 376.8±15.0 °C(Predicted)
• PSA: 12.89000
• Density: 1.03±0.1 g/cm3(Predicted)
• LogP: 2.18640
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 129.057849228
• Heavy Atom Count: 10
• Complexity: 111

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C=CN=C2C=C1

Technology Process of Cyclohepta[b]pyrrole

There total 2 articles about Cyclohepta[b]pyrrole 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: 80.0%

2-bromotropone (932-55-8) + 1,1,1-triphenyl-2-aza-1λ5-phosphabuta-1,3-diene (121198-57-0) → cycloheptapyrrole (275-68-3) + Triphenylphosphine oxide (791-28-6)

Guidance literature:

With triethylamine; In benzene; for 5h; Heating;

Reference yield: 30.0%

5-diazomethylindole → cycloheptapyrrole (275-68-3) + 1H-indole-5-carbonitrile (15861-24-2,142396-06-3)

Guidance literature:

at 500 ℃; under 0.001 - 0.1 Torr;

DOI:10.1021/ja00324a070

Reference yield:

cycloheptapyrrole (275-68-3) + oxalyl dichloride (79-37-8) → cyclohepta[b]pyrrole-5-carbaldehyde (105852-70-8)

Guidance literature:

With sodium acetate; In N,N-dimethyl-formamide;

upstream raw materials:

2-bromotropone

1,1,1-triphenyl-2-aza-1λ⁵-phosphabuta-1,3-diene

Downstream raw materials:

cyclohepta[b]pyrrole-5-carbaldehyde

Refernces