- Preparation of amino-pyrimidine compounds as inhibitors of TBK1 kinase and IKK kinase epsilon, World Intellectual Property Organization, , ,
Cas no 934426-22-9 (2-Amino-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile)
934426-22-9 structure
Product Name:2-Amino-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
CAS No:934426-22-9
MF:C13H17BN2O2
MW:244.097283124924
MDL:MFCD16996233
CID:2112616
PubChem ID:58540750
Update Time:2024-10-26
2-Amino-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile Chemical and Physical Properties
Names and Identifiers
-
- 2-amino-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)Benzonitrile
- (4-Amino-3-cyanophenyl)boronic acid pinacol ester
- JWCNIIZUTIYXTL-UHFFFAOYSA-N
- MB20256
- FCH2776335
- 2-AMINO-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-BENZONITRILE
- 2-Amino-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile (ACI)
- 2-Amino-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
- AKOS027339223
- EN300-7400601
- A1-33584
- SCHEMBL1668230
- 4-Amino-3-cyanophenylboronic Acid Pinacol Ester
- 2-amino-5-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-benzonitrile
- AS-40347
- DB-292760
- 934426-22-9
- CS-0128682
- MFCD16996233
- SY242760
- Z2044798731
- 2-Amino-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
-
- MDL: MFCD16996233
- Inchi: 1S/C13H17BN2O2/c1-12(2)13(3,4)18-14(17-12)10-5-6-11(16)9(7-10)8-15/h5-7H,16H2,1-4H3
- InChI Key: JWCNIIZUTIYXTL-UHFFFAOYSA-N
- SMILES: O1B(C2C=CC(=C(C#N)C=2)N)OC(C)(C)C1(C)C
Computed Properties
- Exact Mass: 244.1383080g/mol
- Monoisotopic Mass: 244.1383080g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 18
- Rotatable Bond Count: 1
- Complexity: 358
- 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
- Topological Polar Surface Area: 68.3
2-Amino-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | A579210-50mg |
(4-Amino-3-Cyanophenyl)Boronic Acid Pinacol Ester |
934426-22-9 | 50mg |
$ 70.00 | 2022-06-08 | ||
| TRC | A579210-100mg |
(4-Amino-3-Cyanophenyl)Boronic Acid Pinacol Ester |
934426-22-9 | 100mg |
$ 95.00 | 2022-06-08 | ||
| TRC | A579210-500mg |
(4-Amino-3-Cyanophenyl)Boronic Acid Pinacol Ester |
934426-22-9 | 500mg |
$ 365.00 | 2022-06-08 | ||
| Ambeed | A505090-100mg |
2-Amino-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile |
934426-22-9 | 97% | 100mg |
$12.0 | 2025-04-15 | |
| Ambeed | A505090-250mg |
2-Amino-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile |
934426-22-9 | 97% | 250mg |
$17.0 | 2025-04-15 | |
| Ambeed | A505090-1g |
2-Amino-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile |
934426-22-9 | 97% | 1g |
$52.0 | 2025-04-15 | |
| Ambeed | A505090-5g |
2-Amino-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile |
934426-22-9 | 97% | 5g |
$257.0 | 2025-04-15 | |
| Chemenu | CM219128-100mg |
2-Amino-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile |
934426-22-9 | 95+% | 100mg |
$68 | 2022-08-31 | |
| Chemenu | CM219128-250mg |
2-Amino-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile |
934426-22-9 | 95+% | 250mg |
$112 | 2022-08-31 | |
| Chemenu | CM219128-1g |
2-Amino-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile |
934426-22-9 | 95+% | 1g |
$257 | 2022-08-31 |
2-Amino-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile Production Method
Production Method 1
Reaction Conditions
1.1 Reagents: Potassium acetate Catalysts: Dichloro[1,1′-bis(diphenylphosphino)ferrocene]palladium(II) dichloromethane addu… Solvents: 1,4-Dioxane ; 16 h, 80 °C
Reference
Production Method 2
Reaction Conditions
Reference
- Antibody-ALK5 inhibitor conjugates and their uses, World Intellectual Property Organization, , ,
Production Method 3
Reaction Conditions
1.1 Reagents: Potassium acetate Catalysts: [1,1′-Bis(diphenylphosphino)ferrocene]dichloropalladium Solvents: Dimethylformamide ; 4 h, rt → 80 °C
Reference
- Preparation of triazolylanilinoquinazolines as antivirals., World Intellectual Property Organization, , ,
Production Method 4
Reaction Conditions
1.1 Reagents: Potassium acetate Catalysts: Dichlorobis(triphenylphosphine)palladium Solvents: Dimethylformamide ; 4 h, rt → 80 °C
Reference
- Quinazoline derivatives, useful in treating or preventing a flaviviridae infection, processes for preparing them, and pharmaceutical compositions containing them, World Intellectual Property Organization, , ,
Production Method 5
Reaction Conditions
1.1 Reagents: Potassium acetate Catalysts: Dichloro[1,1′-bis(diphenylphosphino)ferrocene]palladium(II) dichloromethane addu… Solvents: 1,4-Dioxane ; 20 h, 80 °C
Reference
- Amide compound having BET proteolysis-inducing action, and medicinal application thereof, World Intellectual Property Organization, , ,
Production Method 6
Reaction Conditions
1.1 Reagents: Potassium acetate Catalysts: Dichloro[1,1′-bis(diphenylphosphino)ferrocene]palladium(II) dichloromethane addu… Solvents: 1,4-Dioxane ; 30 min, 85 °C
Reference
- Pyrrolopyridines and related compounds as Tank-binding kinase inhibitors and their preparation, United States, , ,
Production Method 7
Reaction Conditions
1.1 Reagents: Sodium acetate Catalysts: Tricyclohexylphosphine , Tris(dibenzylideneacetone)dipalladium Solvents: 1,4-Dioxane ; 30 h, 90 °C
1.2 Reagents: Water
1.2 Reagents: Water
Reference
- Pyrazolopyridine derivatives for use in the treatment of bladder cancer, World Intellectual Property Organization, , ,
Production Method 8
Reaction Conditions
1.1 Reagents: Potassium acetate Catalysts: Dichloro[1,1′-bis(diphenylphosphino)ferrocene]palladium(II) dichloromethane addu… Solvents: 1,4-Dioxane ; 16 h, 80 °C
Reference
- Nitrogen-containing heterocyclic compound, its preparation method, intermediate, composition and application, China, , ,
Production Method 9
Reaction Conditions
1.1 Reagents: Potassium acetate Catalysts: [1,1′-Bis(diphenylphosphino)ferrocene]dichloropalladium Solvents: 1,4-Dioxane ; 16 h, 80 °C
Reference
- Preparation of nitrogenous heterocyclic compounds as ErbB2 inhibitors, World Intellectual Property Organization, , ,
Production Method 10
Reaction Conditions
1.1 Catalysts: Bis[(1,2,5,6-η)-1,5-cyclooctadiene]di-μ-methoxydiiridium , 2861929-14-6 Solvents: Tetrahydrofuran ; 2 min, rt
1.2 12 h, rt
1.2 12 h, rt
Reference
- Ligand- and Substrate-Controlled para C-H Borylation of Anilines at Room TemperatureHaldar, Chabush ; Bisht, Ranjana; Chaturvedi, Jagriti; Guria, Saikat; Hassan, Mirja Mahamudul Md; et al, Organic Letters, 2022, 24(44), 8147-8152
Production Method 11
Reaction Conditions
1.1 Reagents: Potassium acetate Catalysts: Dichloro[1,1′-bis(diphenylphosphino)ferrocene]palladium(II) dichloromethane addu… Solvents: 1,4-Dioxane ; 16 h, 80 °C; cooled
Reference
- Preparation of substituted pyrimidinylbenzonitriles as IKK-related kinase ε and TANK-binding kinase 1 inhibitors, World Intellectual Property Organization, , ,
Production Method 12
Reaction Conditions
1.1 Reagents: Potassium acetate Catalysts: Dichloro[1,1′-bis(diphenylphosphino)ferrocene]palladium(II) dichloromethane addu… Solvents: 1,4-Dioxane ; 1 h, 130 °C
Reference
- Optimization of physicochemical properties for 4-anilinoquinazoline inhibitors of trypanosome proliferationWoodring, Jennifer L.; Bachovchin, Kelly A.; Brady, Kimberly G.; Gallerstein, Mitchell F.; Erath, Jessey; et al, European Journal of Medicinal Chemistry, 2017, 141, 446-459
Production Method 13
Reaction Conditions
1.1 Reagents: Potassium acetate Catalysts: [1,1′-Bis(diphenylphosphino)ferrocene]dichloropalladium Solvents: Dimethyl sulfoxide ; overnight, 80 °C
Reference
- Preparation of indazole compounds as glucokinase activators for treating diabetes and obesity, World Intellectual Property Organization, , ,
Production Method 14
Reaction Conditions
1.1 Reagents: Tripotassium phosphate Catalysts: [1,1′-Bis(diphenylphosphino)ferrocene]dichloropalladium Solvents: 1,4-Dioxane , Water ; rt → 70 °C; overnight, 70 °C
Reference
- Preparation of substituted pyridinecarboxamides and benzamides useful in cancer treatments targeting cancer stem cells, World Intellectual Property Organization, , ,
Production Method 15
Reaction Conditions
1.1 Reagents: Potassium acetate Catalysts: [1,1′-Bis(diphenylphosphino)ferrocene]dichloropalladium Solvents: 1,4-Dioxane ; 10 min, rt → 110 °C
Reference
- Discovery and evaluation of 3,5-disubstituted indole derivatives as Pim kinase inhibitorsMore, Kunal N.; Hong, Victor S.; Lee, Ahyeon; Park, Jongsung; Kim, Shin; et al, Bioorganic & Medicinal Chemistry Letters, 2018, 28(14), 2513-2517
Production Method 16
Reaction Conditions
1.1 Reagents: Sodium acetate Catalysts: Tricyclohexylphosphine , Tris(dibenzylideneacetone)dipalladium Solvents: 1,4-Dioxane ; 30 h, 90 °C
1.2 Reagents: Water
1.2 Reagents: Water
Reference
- Process for the preparation of pyrazolopyridine derivatives and therapeutic use thereof, United States, , ,
Production Method 17
Reaction Conditions
1.1 Reagents: Potassium acetate Catalysts: [1,1′-Bis(diphenylphosphino)ferrocene]dichloropalladium Solvents: 1,4-Dioxane ; 2 d, 80 °C
Reference
- Aminotriazine derivatives as tank-binding kinase inhibitor and their preparation, World Intellectual Property Organization, , ,
Production Method 18
Reaction Conditions
1.1 Reagents: Sodium acetate Catalysts: Tricyclohexylphosphine , Tris(dibenzylideneacetone)dipalladium Solvents: 1,4-Dioxane ; 30 h, 90 °C
1.2 Solvents: Water
1.2 Solvents: Water
Reference
- Preparation of pyrazolopyridines as fibroblast growth factor (FGF) inhibitors, particularly FGF antagonists, and as angiogenesis inhibitors for treatment of inflammation, cancer and cardiovascular diseases, France, , ,
2-Amino-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile Raw materials
- Anthranilonitrile
- 2-Amino-5-chlorobenzonitrile
- 2-Amino-5-iodobenzonitrile
- 2-Amino-5-bromobenzonitrile
- 4-(morpholin-4-yl)aniline
- Bis(pinacolato)diborane
2-Amino-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile Preparation Products
2-Amino-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile Related Literature
-
Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
-
Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
-
Xue-Ying Wang,Ying Pei,Min Xie,Zi-He Jin,Ya-Shi Xiao,Yang Wang,Li-Na Zhang,Yan Li,Wei-Hua Huang Lab Chip, 2015,15, 1178-1187
-
Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
934426-22-9 (2-Amino-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile) Related Products
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