Cas no 1072946-05-4 (3-Boronoisonicotinic Acid)
3-Boronoisonicotinic Acid is a boronic acid derivative of isonicotinic acid, primarily utilized as a versatile building block in organic synthesis and medicinal chemistry. Its key structural features include a boronic acid group and a pyridine ring, enabling its use in Suzuki-Miyaura cross-coupling reactions for constructing biaryl and heteroaryl compounds. This compound is particularly valuable in pharmaceutical research for the development of enzyme inhibitors and receptor-targeting agents due to its ability to form stable boronate complexes. Its high purity and reactivity make it a reliable intermediate for synthesizing complex molecules with precision. The product is typically handled under inert conditions to preserve its stability.
3-Boronoisonicotinic Acid structure
Product Name:3-Boronoisonicotinic Acid
CAS No:1072946-05-4
MF:C6H6BNO4
MW:166.927141666412
MDL:MFCD10696649
CID:857322
PubChem ID:46738800
Update Time:2025-06-07
3-Boronoisonicotinic Acid Chemical and Physical Properties
Names and Identifiers
-
- 2-AMINO-7-CHLORO-5-OXO-5H-(1)BENZOPYRANO-(2,3-B)-PYRIDINE-3-CARBONITRILE
- TIMTEC-BB SBB003039
- 2-AMINO-7-CHLORO-5-OXO-5H-CHROMENO[2,3-B]PYRIDINE-3-CARBONITRILE
- 2-amino-7-chloro-5-oxo-5H-(1)benzopyrano-(2,3-B)P
- 2-(4-Methoxybenzyloxy)-5-(trifluoromethyl)pyrid
- 3-Boronoisonicotinic acid
- 3-boronopyridine-4-carboxylic acid
- A11877
- 3-(DIHYDROXYBORANYL)PYRIDINE-4-CARBOXYLIC ACID
- 1072946-05-4
- 4-CARBOXYPYRIDINE-3-BORONIC ACID
- MFCD10696649
- XSB94605
- AB57836
- AKOS006304581
- CS-0177696
- DTXSID90674451
- 3-Boronoisonicotinicacid
- AS-58380
- 3-Boronoisonicotinic Acid
-
- MDL： MFCD10696649
- Inchi： 1S/C6H6BNO4/c9-6(10)4-1-2-8-3-5(4)7(11)12/h1-3,11-12H,(H,9,10)
- InChI Key： NHHWTGRSSOPFSI-UHFFFAOYSA-N
- SMILES： OB(C1C=NC=CC=1C(=O)O)O
Computed Properties
- Exact Mass: 167.03900
- Monoisotopic Mass: 167.0389878g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 175
- 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: 90.6?2
Experimental Properties
- Density: 1.50±0.1 g/cm3 (20 oC 760 Torr),
- Solubility: Dissolution (42 g/l) (25 o C),
- PSA: 90.65000
- LogP: -1.54040
3-Boronoisonicotinic Acid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Alichem | A029206176-5g |
3-Boronoisonicotinic acid |
1072946-05-4 | 95% | 5g |
$855.00 | 2023-09-04 | |
| TRC | B689433-25mg |
3-Boronoisonicotinic Acid |
1072946-05-4 | 25mg |
$ 69.00 | 2023-04-18 | ||
| TRC | B689433-50mg |
3-Boronoisonicotinic Acid |
1072946-05-4 | 50mg |
$ 98.00 | 2023-04-18 | ||
| TRC | B689433-100mg |
3-Boronoisonicotinic Acid |
1072946-05-4 | 100mg |
$ 150.00 | 2023-04-18 | ||
| TRC | B689433-250mg |
3-Boronoisonicotinic Acid |
1072946-05-4 | 250mg |
$ 270.00 | 2023-04-18 | ||
| Ambeed | A837975-1g |
3-Boronoisonicotinic acid |
1072946-05-4 | 98% | 1g |
$429.0 | 2024-04-26 | |
| Chemenu | CM204666-250mg |
3-Boronoisonicotinic acid |
1072946-05-4 | 95% | 250mg |
$222 | 2023-02-03 | |
| Chemenu | CM204666-1g |
3-Boronoisonicotinic acid |
1072946-05-4 | 95% | 1g |
$477 | 2023-02-03 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1248366-250mg |
3-Boronoisonicotinic acid |
1072946-05-4 | 97% | 250mg |
￥1874.00 | 2024-08-09 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1248366-1g |
3-Boronoisonicotinic acid |
1072946-05-4 | 97% | 1g |
￥4651.00 | 2024-08-09 |
3-Boronoisonicotinic Acid Related Literature
-
Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
-
Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
-
Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
-
Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
-
Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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