N-Benzylsuccinimide - CAS 2142-06-5
Catalog: |
BB016829 |
Product Name: |
N-Benzylsuccinimide |
CAS: |
2142-06-5 |
Synonyms: |
1-(phenylmethyl)pyrrolidine-2,5-dione; 1-benzylpyrrolidine-2,5-dione |
IUPAC Name: | 1-benzylpyrrolidine-2,5-dione |
Description: | N-Benzylsuccinimide (CAS# 2142-06-5) is an intermediate in synthesizing 2,3,4,10-Tetrahydro-1H-indolo[2,3-b][1,8]naphthyridin-2-ol (T294270), a derivative of 6,7,8,9-Tetrahydro-7-hydroxy-5-methyl-3-phenyl-pyrido[3',2':4,5]imidazo[1,2-a]pyrimidinium Chloride (H957770), a carcinogen used in the study of intestinal bacteria metabolism. Created through the heat processing of food. |
Molecular Weight: | 189.21 |
Molecular Formula: | C11H11NO2 |
Canonical SMILES: | C1CC(=O)N(C1=O)CC2=CC=CC=C2 |
InChI: | InChI=1S/C11H11NO2/c13-10-6-7-11(14)12(10)8-9-4-2-1-3-5-9/h1-5H,6-8H2 |
InChI Key: | IONNJVQITCVNHK-UHFFFAOYSA-N |
Boiling Point: | 394.5 ℃ at 760 mmHg |
Density: | 1.252 g/cm3 |
LogP: | 1.27350 |
Publication Number | Title | Priority Date |
CN-112047925-A | Preparation method of N- (aryl/heteroaryl) alkyl-diamide | 20200916 |
CN-112047925-B | Preparation method of N- (aryl/heteroaryl) alkyl-diamide | 20200916 |
CN-111217737-A | Synthesis method of 1-trifluoroethoxy indan-succinimide compound | 20200313 |
CN-110734384-A | Preparation method of hydroxyamides | 20190923 |
JP-2020189894-A | Resin composition and its manufacturing method | 20190520 |
PMID | Publication Date | Title | Journal |
21481593 | 20110501 | Antifungal, cytotoxic and SAR studies of a series of N-alkyl, N-aryl and N-alkylphenyl-1,4-pyrrolediones and related compounds | Bioorganic & medicinal chemistry |
16279768 | 20051117 | SAR and 3D-QSAR studies on thiadiazolidinone derivatives: exploration of structural requirements for glycogen synthase kinase 3 inhibitors | Journal of medicinal chemistry |
Complexity: | 228 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 189.078978594 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 189.078978594 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 37.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.6 |
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