6,7,8,9-tetrahydro-2'H,5'H-spiro[benzo[7]annulene-5,4'-imidazolidine]-2',5'-dione

Base Information

• Chemical Name: 6,7,8,9-tetrahydro-2'H,5'H-spiro[benzo[7]annulene-5,4'-imidazolidine]-2',5'-dione
• CAS No.: 109402-17-7
• Molecular Formula: C₁₃H₁₄N₂O₂
• Molecular Weight: 230.266
• Hs Code.: 2933990090
• ChEMBL ID: CHEMBL39377
• DSSTox Substance ID: DTXSID10553193
• Nikkaji Number: J1.107.908C
• Mol file: 109402-17-7.mol

Synonyms:109402-17-7;6,7,8,9-tetrahydro-2'H,5'H-spiro[benzo[7]annulene-5,4'-imidazolidine]-2',5'-dione;6,7,8,9-Tetrahydrospiro[benzo[7]annulene-5,4'-imidazolidine]-2',5'-dione;CHEMBL39377;spiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,5'-imidazolidine]-2',4'-dione;DTXSID10553193;BDBM50022495;MFCD07838403;6,7,8,9-tetrahydrospiro[-benzo[7]annulene-5,4'-imidazolidine]-2',5'-dione;AKOS009075806;AS-73823;CS-0215087;EN300-22042;W15024;Z147641290;6,7,8,9-tetrahydro-2''H,5''H-spiro[benzo[7]annulene-5,4''-imidazolidine]-2'',5''-dione;6,7,8,9-tetrahydrospiro[benzo[7]annulene-5,4''-imidazolidine]-2'',5''-dione;6,7,8,9-TETRAHYDRO-2/'/'H,5/'/'H-SPIRO[BENZO[7]ANNULENE-5,4/'/'-IMIDAZOLIDINE]-2/'/',5/'/'-DIONE;spiro[6,7,8,9-tetrahydro-5H-benzo[a]cycloheptene-5,4''-(tetrahydro-1''H-imidazole)]-2'',5''-dione

Chemical Property of 6,7,8,9-tetrahydro-2'H,5'H-spiro[benzo[7]annulene-5,4'-imidazolidine]-2',5'-dione

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 65.18000
• Density: 1.3g/cm³
• LogP: 1.36360
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 230.105527694
• Heavy Atom Count: 17
• Complexity: 355

Purity/Quality:

97% ^*data from raw suppliers

6,7,8,9-Tetrahydrospiro[benzo[7]annulene-5,4''-imidazolidine]-2'',5''-dione ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC2(C3=CC=CC=C3C1)C(=O)NC(=O)N2

Technology Process of 6,7,8,9-tetrahydro-2'H,5'H-spiro[benzo[7]annulene-5,4'-imidazolidine]-2',5'-dione

There total 5 articles about 6,7,8,9-tetrahydro-2'H,5'H-spiro[benzo[7]annulene-5,4'-imidazolidine]-2',5'-dione 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: 22.0%

potassium cyanide (151-50-8) + 1-Benzosuberone (826-73-3) → 6,7,8,9-tetrahydro-spiro[benzocycloheptene-5,4'-imidazolidine]-2',5'-dione (109402-17-7)

Guidance literature:

With ammonium carbonate; In ethanol; at 110 ℃;

DOI:10.1021/jm00396a037

Reference yield:

ammonium carbonate (506-87-6,6721-33-1,10361-29-2) + 5-Hydroxy-6,7,8,9-tetrahydro-5H-benzocycloheptene-5-carbonitrile → 6,7,8,9-tetrahydro-spiro[benzocycloheptene-5,4'-imidazolidine]-2',5'-dione (109402-17-7)

Guidance literature:

With water; In ethanol; water; at 55 - 65 ℃; for 12h; Yield given;

DOI:10.1021/jm960692v

Reference yield:

1-Benzosuberone (826-73-3) → 6,7,8,9-tetrahydro-spiro[benzocycloheptene-5,4'-imidazolidine]-2',5'-dione (109402-17-7)

Guidance literature:

Multi-step reaction with 3 steps

1: ZnI₂ / 12 h / Ambient temperature

2: 15percent aq. HCl / 1 h / Ambient temperature

3: H₂O / ethanol; H₂O / 12 h / 55 - 65 °C

With hydrogenchloride; water; zinc(II) iodide; In ethanol; water;

DOI:10.1021/jm960692v

upstream raw materials:

potassium cyanide

1-Benzosuberone

ammonium carbonate

cyanide^(1-)

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