- Preparation of isoindolinone derivatives as Ask1 inhibitors, World Intellectual Property Organization, , ,
Cas no 954239-52-2 (Methyl 3-oxoisoindoline-5-carboxylate)
954239-52-2 structure
Product Name:Methyl 3-oxoisoindoline-5-carboxylate
CAS No:954239-52-2
MF:C10H9NO3
MW:191.183362722397
MDL:MFCD09878911
CID:837907
PubChem ID:53407796
Update Time:2024-10-25
Methyl 3-oxoisoindoline-5-carboxylate Chemical and Physical Properties
Names and Identifiers
-
- Methyl 3-oxoisoindoline-5-carboxylate
- 1H-Isoindole-5-carboxylic acid, 2,3-dihydro-3-oxo-, methyl ester
- 3-Oxo-2,3-dihydro-1H-isoindole-5-carboxylic acid methyl ester
- methyl 3-oxo-1,2-dihydroisoindole-5-carboxylate
- Methyl 2,3-dihydro-3-oxo-1H-isoindole-5-carboxylate (ACI)
- DTXSID60696044
- METHYL 3-OXO-2,3-DIHYDRO-1H-ISOINDOLE-5-CARBOXYLATE
- DB-080255
- AB54063
- 1H-Isoindole-5-carboxylicacid,2,3-dihydro-3-oxo-,Methylester
- MFCD09878911
- SY042269
- AS-76710
- SCHEMBL19474641
- Z1198235672
- EN300-142217
- 954239-52-2
- AKOS006311411
- CS-0147123
- Methyl3-oxoisoindoline-5-carboxylate
- BCP32397
-
- MDL: MFCD09878911
- Inchi: 1S/C10H9NO3/c1-14-10(13)6-2-3-7-5-11-9(12)8(7)4-6/h2-4H,5H2,1H3,(H,11,12)
- InChI Key: FOUXXPLZXKYJRB-UHFFFAOYSA-N
- SMILES: O=C(C1C=C2C(NCC2=CC=1)=O)OC
Computed Properties
- Exact Mass: 191.058243149g/mol
- Monoisotopic Mass: 191.058243149g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 264
- 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
- XLogP3: 0.6
- Topological Polar Surface Area: 55.4?2
Methyl 3-oxoisoindoline-5-carboxylate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | O991685-25mg |
3-Oxo-2,3-dihydro-1H-isoindole-5-carboxylic Acid Methyl Ester |
954239-52-2 | 25mg |
$ 50.00 | 2022-06-03 | ||
| TRC | O991685-50mg |
3-Oxo-2,3-dihydro-1H-isoindole-5-carboxylic Acid Methyl Ester |
954239-52-2 | 50mg |
$ 95.00 | 2022-06-03 | ||
| TRC | O991685-250mg |
3-Oxo-2,3-dihydro-1H-isoindole-5-carboxylic Acid Methyl Ester |
954239-52-2 | 250mg |
$ 320.00 | 2022-06-03 | ||
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | X54435-100mg |
Methyl 3-oxoisoindoline-5-carboxylate |
954239-52-2 | 97% | 100mg |
¥151.0 | 2023-09-05 | |
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | X54435-250mg |
Methyl 3-oxoisoindoline-5-carboxylate |
954239-52-2 | 97% | 250mg |
¥351.0 | 2023-09-05 | |
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | X54435-1g |
Methyl 3-oxoisoindoline-5-carboxylate |
954239-52-2 | 97% | 1g |
¥1324.0 | 2023-09-05 | |
| Alichem | A199008338-1g |
Methyl 3-oxoisoindoline-5-carboxylate |
954239-52-2 | 95% | 1g |
$540.00 | 2023-08-31 | |
| JIE DA WEI ( SHANG HAI ) YI YAO KE JI FA ZHAN Co., Ltd. | 48R0328-1g |
3-Oxo-2,3-dihydro-1H-isoindole-5-carboxylic acid methyl ester |
954239-52-2 | 97% | 1g |
2527.17CNY | 2021-05-08 | |
| JIE DA WEI ( SHANG HAI ) YI YAO KE JI FA ZHAN Co., Ltd. | 48R0328-5g |
3-Oxo-2,3-dihydro-1H-isoindole-5-carboxylic acid methyl ester |
954239-52-2 | 97% | 5g |
8463.46CNY | 2021-05-08 | |
| JIE DA WEI ( SHANG HAI ) YI YAO KE JI FA ZHAN Co., Ltd. | 48R0328-500mg |
3-Oxo-2,3-dihydro-1H-isoindole-5-carboxylic acid methyl ester |
954239-52-2 | 97% | 500mg |
1687.6CNY | 2021-05-08 |
Methyl 3-oxoisoindoline-5-carboxylate Production Method
Production Method 1
Reaction Conditions
1.1 Reagents: Triethylamine Catalysts: Palladium diacetate , 1,1′-(9,9-Dimethyl-9H-xanthene-4,5-diyl)bis[1,1-diphenylphosphine] Solvents: Methanol ; 16 h, 1 atm, rt → 70 °C
Reference
Production Method 2
Reaction Conditions
1.1 Reagents: Trifluoroacetic acid ; 96 h, reflux
Reference
- Convenient access to isoindolinones via carbamoyl radical cyclization: Synthesis of cichorine and 4-hydroxyisoindolin-1-one natural productsLopez-Valdez, German; Olguin-Uribe, Simon; Millan-Ortiz, Alejandra; Gamez-Montano, Rocio; Miranda, Luis D., Tetrahedron, 2011, 67(14), 2693-2701
Production Method 3
Reaction Conditions
1.1 Reagents: 1,1′-Carbonyldiimidazole Solvents: Dimethylformamide ; 30 min, 60 °C
1.2 Reagents: Diisopropylethylamine ; 3.5 h, 60 °C
1.2 Reagents: Diisopropylethylamine ; 3.5 h, 60 °C
Reference
- Preparation of pyrrolidine derivatives as type 4 phosphodiesterase inhibitors and used for prevention/treatment of respiratory diseases, China, , ,
Production Method 4
Reaction Conditions
Reference
- Carbamoyl radicals from carbamoylxanthates: a facile entry into isoindolin-1-onesLopez-Valdez, German; Olguin-Uribe, Simon; Miranda, Luis D., Tetrahedron Letters, 2007, 48(47), 8285-8289
Methyl 3-oxoisoindoline-5-carboxylate Raw materials
- 3-Oxoisoindoline-5-carboxylic acid
- 6-bromo-2,3-dihydro-1H-isoindol-1-one
- 1H-Isoindole-5-carboxylic acid, 2-(1,1-dimethylethyl)-2,3-dihydro-3-oxo-, methyl ester
Methyl 3-oxoisoindoline-5-carboxylate Preparation Products
Methyl 3-oxoisoindoline-5-carboxylate Suppliers
Amadis Chemical Company Limited
Gold Member
(CAS:954239-52-2)Methyl 3-oxoisoindoline-5-carboxylate
Order Number:A859048
Stock Status:in Stock
Quantity:1g/5g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 08:16
Price ($):179.0/627.0
Email:[email protected]
Methyl 3-oxoisoindoline-5-carboxylate Related Literature
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Kui Wu,Zhihua Yang,Shilie Pan Dalton Trans., 2015,44, 19856-19864
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2. An integrated microfluidic 3D tumor system for parallel and high-throughput chemotherapy evaluation?Dan Liu,Rui Hu,Zhongchao Huang,Meilin Sun,Kai Han Analyst, 2020,145, 6447-6455
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Raktani Bikshapathi,Sai Prathima Parvathaneni,Vaidya Jayathirtha Rao Green Chem., 2017,19, 4446-4450
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Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
-
H. V. Jain,D. Verthelyi,S. L. Beaucage RSC Adv., 2017,7, 42519-42528
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Recommended suppliers
Amadis Chemical Company Limited
(CAS:954239-52-2)Methyl 3-oxoisoindoline-5-carboxylate
Purity:99%/99%
Quantity:1g/5g
Price ($):179.0/627.0