Ethyl 2-aminocyclohepta[b]pyrrole-3-carboxylate

Base Information

• Chemical Name: Ethyl 2-aminocyclohepta[b]pyrrole-3-carboxylate
• CAS No.: 3336-70-7
• Molecular Formula: C12H12N2O2
• Molecular Weight: 216.239
• DSSTox Substance ID: DTXSID50521730
• Nikkaji Number: J2.884.742D

Synonyms:Ethyl 2-aminocyclohepta[b]pyrrole-3-carboxylate;3336-70-7;DTXSID50521730

Chemical Property of Ethyl 2-aminocyclohepta[b]pyrrole-3-carboxylate

Chemical Property:

• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 216.089877630
• Heavy Atom Count: 16
• Complexity: 257

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=C(N=C2C1=CC=CC=C2)N

Technology Process of Ethyl 2-aminocyclohepta[b]pyrrole-3-carboxylate

There total 3 articles about Ethyl 2-aminocyclohepta[b]pyrrole-3-carboxylate 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: 56.0%

[(3-ethoxycarbonyl-1-azaazulen-2-yl)imino]triphenylphosphorane (879999-21-0) + 4-cyanobenzaldehyde (105-07-7) → C32H27N5O4 (1261941-33-6) + ethyl 2-aminocycloheptapyrrole-3-carboxylate (3336-70-7)

Guidance literature:

In 5,5-dimethyl-1,3-cyclohexadiene; at 125 ℃; for 200h; Inert atmosphere;

DOI:10.3987/COM-10-12050

Reference yield: 28.0%

Ethyl 2-hydrazinocycloheptapyrrole-3-carboxylate (88614-27-1) → ethyl 2-aminocycloheptapyrrole-3-carboxylate (3336-70-7) + ethyl (E)-3-(1,2-diphenylethyl)-1,2,3a-triazacyclopentazulene-9-carboxylate + ethyl 8,9-diphenyl-1,2,9b-triazaindeno<1,7,6-bcd>azulene-3-carboxylate + ethyl (Z)-2--1-azaazulene-3-carboxylate (159889-04-0)

Guidance literature:

With diphenylcyclopropenone; In acetonitrile; for 4h; Further byproducts given; Heating;

DOI:10.1246/bcsj.67.2487

Reference yield: 24.0%

[(3-ethoxycarbonyl-1-azaazulen-2-yl)imino]triphenylphosphorane (879999-21-0) + 4-methyl-benzaldehyde (104-87-0) → C32H30N4O4 (1261941-31-4) + ethyl 2-aminocycloheptapyrrole-3-carboxylate (3336-70-7)

Guidance literature:

In 5,5-dimethyl-1,3-cyclohexadiene; at 125 ℃; for 200h; Inert atmosphere;

DOI:10.3987/COM-10-12050

upstream raw materials:

Ethyl 2-hydrazinocycloheptapyrrole-3-carboxylate

[(3-ethoxycarbonyl-1-azaazulen-2-yl)imino]triphenylphosphorane

4-methyl-benzaldehyde

4-cyanobenzaldehyde

Downstream raw materials:

bis[(3-ethoxycarbonyl-1-azaazulen-2-yl)amino]phenylmethane

C₂₇H₂₂N₂O₆

ethyl 2-p-tolylcyclohepta<4,5>pyrrolo<1,2-a>imidazole-10-carboxylate

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