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CAS Number: 138401-24-8
4'-((2-butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl)-[1,1'-biphenyl]-2-carbonitrile

Structure

4'-((2-butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl)-[1,1'-biphenyl]-2-carbonitrile
Name: 4'-((2-butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl)-[1,1'-biphenyl]-2-carbonitrile
Synonyms:
General Information
Product Number: 138401248

CAS Registry Number: 138401-24-8

Name:

[1,​1'-​Biphenyl]​-​2-​carbonitrile, 4'-​[(2-​butyl-​4-​oxo-​1,​3-​diazaspiro[4.4]​non-​1-​en-​3-​yl)​methyl]​-
1,​3-​Diazaspiro[4.4]​nonane, [1,​1'-​biphenyl]​-​2-​carbonitrile deriv.; 2-​Butyl-​3-​[[2'-​(cyano)​biphenyl-​4-​yl]​methyl]​-​1,​3-​diazaspiro[4.4]​non-​1-​en-​4-​one 

Deleted CAS Registry Numbers: 1246929-​71-​4

 

Chemical Formula: C25H27N3O
Exact Mass: 385.22
Molecular Weight: 385.50
m/z: 385.22 (100.0%), 386.22 (27.4%), 387.22 (4.0%), 386.21 (1.1%)

 

InChI: InChI=1S/C25H27N3O/c1-2-3-10-23-27-25(15-6-7-16-25)24(29)28(23)18-19-11-13-20(14-12-19)22-9-5-4-8-21(22)17-26/h4-5,8-9,11-14H,2-3,6-7,10,15-16,18H2,1H3
InChIKey: KWEQEHOPDHARIA-UHFFFAOYSA-N
Canonical SMILES : CCCCC1=NC2(CCCC2)C(=O)N1CC3=CC=C(C=C3)C4=CC=CC=C4C#N

 

Thermal Properties Value Condition Note
Melting Point 97-100 °C   (3)CAS
Melting Point 92-98 °C   (4)CAS

Specification

98%

References
  1. (1) Ye, Ping; Journal of Organic Chemistry 2006, V71(8), P3137-3140 CAPLUS
  2. (2) Rao, Somisetti Narender; Rasayan Journal of Chemistry 2010, V3(4), P681-689 CAPLUS
  3. (3) Kumar, Manian Rajesh; Advanced Synthesis & Catalysis 2010, V352(18), P3255-3266 CAPLUS
  4. (4) Satyanarayana, Bollikonda; Heterocyclic Communications 2006, V12(5), P323-328 CAPLUS
  5. (5) Patel, Faim Amin; Organic Chemistry: An Indian Journal 2010, V6(1), P116-118 CAPLUS
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