- Discovery of Potent Indenoisoquinoline Topoisomerase I Poisons Lacking the 3-Nitro ToxicophoreBeck, Daniel E.; Abdelmalak, Monica; Lv, Wei; Reddy, P. V. Narasimha; Tender, Gabrielle S.; et al, Journal of Medicinal Chemistry, 2015, 58(9), 3997-4015
Cas no 89877-62-3 (6-Cyanophthalide)
6-Cyanophthalide structure
Product Name:6-Cyanophthalide
CAS No:89877-62-3
MF:C9H5NO2
MW:159.141502141953
MDL:MFCD03428560
CID:712420
PubChem ID:13289562
Update Time:2024-10-26
6-Cyanophthalide Chemical and Physical Properties
Names and Identifiers
-
- 3-Oxo-1,3-dihydroisobenzofuran-5-carbonitrile
- 6-Cyanophthalide
- 3-oxo-1H-2-benzofuran-5-carbonitrile
- 5-Isobenzofurancarbonitrile,1,3-dihydro-3-oxo-
- 1-oxo-1,3-dihydroisobenzofuran-6-carbonitrile
- 3-Oxo-phthalan-5-carbonitril
- 3-oxo-phthalan-5-carbonitrile
- 5-Isobenzofurancarbonitrile,1,3-dihydro-3-oxo
- 6-cyanoisobenzofuran-1(3H)-one
- 1,3-Dihydro-3-oxo-5-isobenzofurancarbonitrile (ACI)
- 3-Oxo-1,3-dihydro-2-benzofuran-5-carbonitrile
- AS-50138
- 1,3-Dihydro-3-oxo-5-isobenzofurancarbonitrile
- AKOS006278370
- SCHEMBL148003
- SHFPTPKYWROKQJ-UHFFFAOYSA-N
- DB-126736
- 89877-62-3
- 1,3-Dihydro-1-oxoisobenzofuran-6-carbonitrile
- CS-0040506
- DTXSID80534934
- MFCD03428560
- O11042
- 5-Isobenzofurancarbonitrile, 1,3-dihydro-3-oxo-
-
- MDL: MFCD03428560
- Inchi: 1S/C9H5NO2/c10-4-6-1-2-7-5-12-9(11)8(7)3-6/h1-3H,5H2
- InChI Key: SHFPTPKYWROKQJ-UHFFFAOYSA-N
- SMILES: N#CC1C=C2C(OCC2=CC=1)=O
Computed Properties
- Exact Mass: 159.03200
- Monoisotopic Mass: 159.032028402g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 253
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: nothing
- Topological Polar Surface Area: 50.1?2
Experimental Properties
- Density: 1.36
- Melting Point: 193-195°C
- Boiling Point: 391.03°C at 760 mmHg
- Flash Point: 190.046°C
- Refractive Index: 1.607
- PSA: 50.09000
- LogP: 1.22868
6-Cyanophthalide Customs Data
- HS CODE:2932209090
- Customs Data:
China Customs Code:
2932209090Overview:
2932209090. Other lactones. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%
Declaration elements:
Product Name, component content, use to
Summary:
2932209090. other lactones. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
6-Cyanophthalide Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-WT006-250mg |
6-Cyanophthalide |
89877-62-3 | 97% | 250mg |
1635CNY | 2021-05-07 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-WT006-1g |
6-Cyanophthalide |
89877-62-3 | 97% | 1g |
2134.0CNY | 2021-07-14 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-WT006-5g |
6-Cyanophthalide |
89877-62-3 | 97% | 5g |
7544.0CNY | 2021-07-14 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-WT006-50mg |
6-Cyanophthalide |
89877-62-3 | 97% | 50mg |
431.0CNY | 2021-07-14 | |
| Chemenu | CM155363-1g |
3-Oxo-1,3-dihydroisobenzofuran-5-carbonitrile |
89877-62-3 | 95% | 1g |
$421 | 2021-06-08 | |
| Chemenu | CM155363-5g |
3-Oxo-1,3-dihydroisobenzofuran-5-carbonitrile |
89877-62-3 | 95% | 5g |
$1029 | 2021-06-08 | |
| Chemenu | CM155363-10g |
3-Oxo-1,3-dihydroisobenzofuran-5-carbonitrile |
89877-62-3 | 95% | 10g |
$1683 | 2021-06-08 | |
| Alichem | A019096474-5g |
3-Oxo-1,3-dihydroisobenzofuran-5-carbonitrile |
89877-62-3 | 95% | 5g |
$1577.18 | 2023-08-31 | |
| Alichem | A019096474-10g |
3-Oxo-1,3-dihydroisobenzofuran-5-carbonitrile |
89877-62-3 | 95% | 10g |
$2484.36 | 2023-08-31 | |
| Alichem | A019096474-25g |
3-Oxo-1,3-dihydroisobenzofuran-5-carbonitrile |
89877-62-3 | 95% | 25g |
$4783.80 | 2023-08-31 |
6-Cyanophthalide Production Method
Production Method 1
Reaction Conditions
1.1 Reagents: Sodium nitrite , Hydrochloric acid Solvents: Water ; 0 °C
1.2 Reagents: Cuprous cyanide Solvents: Water ; 0 °C; 0 °C → rt; 3.5 h, rt
1.2 Reagents: Cuprous cyanide Solvents: Water ; 0 °C; 0 °C → rt; 3.5 h, rt
Reference
Production Method 2
Reaction Conditions
1.1 Reagents: Tetrabutylammonium bromide , Sodium persulfate Solvents: Acetonitrile ; 18 h, 80 °C
Reference
- Peroxydisulfate-Mediated Transition-Metal-Free Oxidative C(sp3)-H Bond LactonizationNozawa-Kumada, Kanako; Kurosu, Satoshi; Shigeno, Masanori ; Kondo, Yoshinori, Asian Journal of Organic Chemistry, 2019, 8(7), 1080-1083
Production Method 3
Reaction Conditions
1.1 Reagents: Potassium peroxymonosulfate sulfate (2KHSO5.KHSO4.K2SO4) Catalysts: 2-Iodo-3,4,5,6-tetramethylbenzoic acid Solvents: Acetonitrile , Water ; 8 h, 30 °C
Reference
- Facile organocatalytic domino oxidation of diols to lactones by in situ-generated TetMe-IBXJhulki, Samik; Seth, Saona; Mondal, Manas; Moorthy, Jarugu Narasimha, Tetrahedron, 2014, 70(13), 2286-2293
6-Cyanophthalide Raw materials
- 6-amino-1,3-dihydro-2-benzofuran-1-one
- 5-Cyano-2-methylbenzoic acid
- Benzonitrile, 3,4-bis(hydroxymethyl)-
6-Cyanophthalide Preparation Products
6-Cyanophthalide Related Literature
-
Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
-
Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
-
Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
-
4. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
-
J. M. Granadino-Roldán,M. Fernández-Gómez,A. Navarro,T. Pe?a Ruiz,U. A. Jayasooriya Phys. Chem. Chem. Phys., 2004,6, 1133-1143
89877-62-3 (6-Cyanophthalide) Related Products
- 82104-74-3(5-Cyanophthalide)
- 220389-17-3(Ethyl 4-cyano-2-methylbenzoate)
- 1261852-00-9(ethyl 2-cyano-3-methylbenzoate)
- 65975-31-7(5,6-Isobenzofurandicarbonitrile, 1,3-dihydro-1-oxo-)
- 374905-57-4(5-Isobenzofurancarbonitrile, 1,3-dihydro-4,6-dimethyl-3-oxo-)
- 90483-95-7(1-oxo-1,3-dihydroisobenzofuran-4-carbonitrile)
- 53935-68-5(5,6,7-Trimethyl-1-oxo-1,3-dihydro-2-benzofuran-4-carbonitrile)
- 53935-69-6(4,6,7-Trimethyl-1-oxo-1,3-dihydro-2-benzofuran-5-carbonitrile)
- 374905-59-6(4-Isobenzofurancarbonitrile, 1,3-dihydro-5,7-dimethyl-1-oxo-)
- 6525-45-7(Ethyl 2-cyanobenzoate)
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