- Preparation of dibenzo[b,e][1,4]diazepin-11-ones as kinase inhibitors for treatment of cancer, United States, , ,
Cas no 956003-76-2 (5-Bromoisoquinoline-1-carbonitrile)
5-Bromoisoquinoline-1-carbonitrile is a heterocyclic organic compound featuring a bromine substituent at the 5-position and a nitrile group at the 1-position of the isoquinoline scaffold. This structure makes it a valuable intermediate in pharmaceutical and agrochemical synthesis, particularly for constructing complex nitrogen-containing frameworks. The bromine moiety offers reactivity for cross-coupling reactions (e.g., Suzuki or Buchwald-Hartwig), while the nitrile group provides versatility for further functionalization. Its high purity and stability under standard conditions ensure reliable performance in diverse synthetic applications. The compound is particularly useful in medicinal chemistry for developing bioactive molecules due to its balanced reactivity and compatibility with multistep transformations.
956003-76-2 structure
Product Name:5-Bromoisoquinoline-1-carbonitrile
CAS No:956003-76-2
MF:C10H5BrN2
MW:233.064100980759
MDL:MFCD17215757
CID:844666
PubChem ID:69219210
Update Time:2025-06-06
5-Bromoisoquinoline-1-carbonitrile Chemical and Physical Properties
Names and Identifiers
-
- 5-Bromoisoquinoline-1-carbonitrile
- 5-Bromo-isoquinoline-1-carbonitrile
- 5-Bromo-1-isoquinolinecarbonitrile (ACI)
- 5-Bromo-1-cyanoisoquinoline
- MFCD17215757
- AKOS016009820
- D72021
- OBSFYBWGRFGYGY-UHFFFAOYSA-N
- CS-16559
- DB-080307
- EN300-320482
- CS-0100538
- 956003-76-2
- DTXSID30740023
- SCHEMBL4856952
-
- MDL： MFCD17215757
- Inchi： 1S/C10H5BrN2/c11-9-3-1-2-8-7(9)4-5-13-10(8)6-12/h1-5H
- InChI Key： OBSFYBWGRFGYGY-UHFFFAOYSA-N
- SMILES： N#CC1C2C(=C(C=CC=2)Br)C=CN=1
Computed Properties
- Exact Mass: 231.96361g/mol
- Monoisotopic Mass: 231.96361g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 0
- Complexity: 232
- 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: 2.8
- Topological Polar Surface Area: 36.7?2
Experimental Properties
- Density: 1.66
5-Bromoisoquinoline-1-carbonitrile Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Chemenu | CM145181-1g |
5-bromoisoquinoline-1-carbonitrile |
956003-76-2 | 95% | 1g |
$557 | 2021-08-05 | |
| Chemenu | CM145181-1g |
5-bromoisoquinoline-1-carbonitrile |
956003-76-2 | 95% | 1g |
$366 | 2024-07-18 | |
| Apollo Scientific | OR510044-250mg |
5-Bromoisoquinoline-1-carbonitrile |
956003-76-2 | >98% | 250mg |
￡215.00 | 2025-02-20 | |
| Alichem | A189004594-1g |
5-Bromoisoquinoline-1-carbonitrile |
956003-76-2 | 95% | 1g |
$480.00 | 2023-08-31 | |
| eNovation Chemicals LLC | Y1105673-1g |
5-bromoisoquinoline-1-carbonitrile |
956003-76-2 | 95% | 1g |
$620 | 2024-07-23 | |
| eNovation Chemicals LLC | D961314-250mg |
5-bromoisoquinoline-1-carbonitrile |
956003-76-2 | 97% | 250mg |
$180 | 2024-06-06 | |
| eNovation Chemicals LLC | D961314-1g |
5-bromoisoquinoline-1-carbonitrile |
956003-76-2 | 97% | 1g |
$265 | 2024-06-06 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1171178-100mg |
5-Bromoisoquinoline-1-carbonitrile |
956003-76-2 | 98% | 100mg |
￥542.00 | 2024-04-24 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1171178-250mg |
5-Bromoisoquinoline-1-carbonitrile |
956003-76-2 | 98% | 250mg |
￥1181.00 | 2024-04-24 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1171178-1g |
5-Bromoisoquinoline-1-carbonitrile |
956003-76-2 | 98% | 1g |
￥2530.00 | 2024-04-24 |
5-Bromoisoquinoline-1-carbonitrile Production Method
Production Method 1
Reaction Conditions
1.1 Reagents: Triethylamine Solvents: Acetonitrile ; overnight, reflux; 16 h, reflux
Reference
Production Method 2
Reaction Conditions
1.1 Reagents: Triethylamine Solvents: Acetonitrile ; 1.5 h, 150 °C
Reference
- Pyridinyl-heterocycles as isocitrate dehydrogenase 1 inhibitors and their preparation, therapeutically active compositions and their methods of use, World Intellectual Property Organization, , ,
5-Bromoisoquinoline-1-carbonitrile Raw materials
5-Bromoisoquinoline-1-carbonitrile Preparation Products
5-Bromoisoquinoline-1-carbonitrile Related Literature
-
Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
-
M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
-
Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
-
Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
-
Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
956003-76-2 (5-Bromoisoquinoline-1-carbonitrile) Related Products
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