7,9-Dioxo-8-azaspiro[4.5]decane-6,10-dicarbonitrile

Base Information

• Chemical Name: 7,9-Dioxo-8-azaspiro[4.5]decane-6,10-dicarbonitrile
• CAS No.: 42940-56-7
• Molecular Formula: C11H11N3O2
• Molecular Weight: 217.227
• Hs Code.: 2926909090
• European Community (EC) Number: 610-087-2
• NSC Number: 400097
• DSSTox Substance ID: DTXSID80321962
• Nikkaji Number: J267.321E
• ChEMBL ID: CHEMBL2131375
• Mol file: 42940-56-7.mol

Synonyms:7,9-dioxo-8-azaspiro[4.5]decane-6,10-dicarbonitrile;42940-56-7;MLS003171479;NSC 400097;7,9-Dioxo-8-azaspiro(4.5)decane-6,10-dicarbonitrile;7,9-DIOXO-8-AZASPIRO(4.5)DECANE-6,10-DICARBONITRILE, 98%, MIXT. (+/-)/MESO;NSC400097;6,10-dicyano-8-azaspiro[4,5]decane-7,9-dione;SCHEMBL8423510;CHEMBL2131375;DTXSID80321962;MFCD00012103;AKOS000521045;NSC-400097;SB44090;LS-04495;SMR001875365;CS-0332316;FT-0684240;6,10-Dicyano-8-azaspiro[4.5]decane-7,9-dione;AN-319/13364017;SR-01000316867;SR-01000316867-1

Chemical Property of 7,9-Dioxo-8-azaspiro[4.5]decane-6,10-dicarbonitrile

Chemical Property:

• Vapor Pressure: 1.7E-12mmHg at 25°C
• Melting Point: 182-185 °C(lit.)
• Boiling Point: 558.2°Cat760mmHg
• PKA: 16.70±0.60(Predicted)
• Flash Point: 291.4°C
• PSA: 93.75000
• Density: 1.32g/cm³
• LogP: 0.81156
• XLogP3: 1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 217.085126602
• Heavy Atom Count: 16
• Complexity: 408

Purity/Quality:

98%min ^*data from raw suppliers

7,9-Dioxo-8-azaspiro[4.5]decane-6,10-dicarbonitrile ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC2(C1)C(C(=O)NC(=O)C2C#N)C#N

Technology Process of 7,9-Dioxo-8-azaspiro[4.5]decane-6,10-dicarbonitrile

There total 1 articles about 7,9-Dioxo-8-azaspiro[4.5]decane-6,10-dicarbonitrile 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: 82.0%

cyclopentanone (120-92-3) + ethyl 2-cyanoacetate (105-56-6) → 7,9-dioxo-8-azaspiro[4.5]decane-6,10-dicarbonitrile (42940-56-7)

Guidance literature:

With methanol; lithium nitride; at 20 ℃; for 14h; sealed;

DOI:10.3987/COM-08-11584

Reference yield:

7,9-dioxo-8-azaspiro[4.5]decane-6,10-dicarbonitrile (42940-56-7) → 3,3-tetramethylene glutaric anhydride (5662-95-3)

Guidance literature:

Multi-step reaction with 2 steps

1: sulfuric acid / Heating

2: thionyl chloride; acetic anhydride / 3 h / 80 °C

With thionyl chloride; sulfuric acid; acetic anhydride;

DOI:10.3109/14756366.2015.1070844

Reference yield:

7,9-dioxo-8-azaspiro[4.5]decane-6,10-dicarbonitrile (42940-56-7) → 1,1-cyclopentanediacetic acid (16713-66-9)

Guidance literature:

With sulfuric acid; Heating;

DOI:10.3109/14756366.2015.1070844

upstream raw materials:

cyclopentanone

ethyl 2-cyanoacetate

Downstream raw materials:

1,1-cyclopentanediacetic acid

tedisamil

3,3-tetramethylene glutaric anhydride

8-benzyl-8-azaspiro[4.5]decane-7,9-dione

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