- Pyrimidine-4-carboxamide compounds useful as Raf kinase inhibitors and their preparation and use in the treatment of Raf-mediated diseases, World Intellectual Property Organization, , ,
Cas no 939986-65-9 (6-Chloropyrimidine-4-carbonitrile)
6-Chloropyrimidine-4-carbonitrile is a versatile heterocyclic compound featuring a chloropyrimidine core substituted with a cyano group at the 4-position. This structure makes it a valuable intermediate in organic synthesis, particularly in the preparation of pharmaceuticals, agrochemicals, and specialty chemicals. The reactive chlorine and nitrile groups enable selective functionalization, facilitating the construction of complex molecular frameworks. Its high purity and stability ensure consistent performance in nucleophilic substitution and cross-coupling reactions. The compound is particularly useful in medicinal chemistry for developing pyrimidine-based inhibitors and ligands. Proper handling under controlled conditions is recommended due to its reactivity.
939986-65-9 structure
Product Name:6-Chloropyrimidine-4-carbonitrile
CAS No:939986-65-9
MF:C5H2ClN3
MW:139.542479038239
MDL:MFCD09607731
CID:822747
PubChem ID:22498881
Update Time:2025-10-10
6-Chloropyrimidine-4-carbonitrile Chemical and Physical Properties
Names and Identifiers
-
- 6-Chloropyrimidine-4-carbonitrile
- 4-Pyrimidinecarbonitrile, 6-chloro-
- 4-CHLORO-6-CYANOPYRIMIDINE
- 4-CHLOROPYRIMIDINE-6-CARBONITRILE
- 6-CHLORO-4-PYRIMIDINECARBONITRILE
- 6-chloro-pyrimidine-4-carbonitrile
- 6-cyano-4-chloropyrimidine
- AJRPBTWNTZPVSO-UHFFFAOYSA-N
- NE59192
- AB50837
- SY099353
- AK139790
- 6-Chloro-4-pyrimidinecarbonitrile (ACI)
-
- MDL： MFCD09607731
- Inchi： 1S/C5H2ClN3/c6-5-1-4(2-7)8-3-9-5/h1,3H
- InChI Key： AJRPBTWNTZPVSO-UHFFFAOYSA-N
- SMILES： ClC1=CC(C#N)=NC=N1
Computed Properties
- Exact Mass: 138.99400
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 9
- Rotatable Bond Count: 0
- Complexity: 138
- Topological Polar Surface Area: 49.6
Experimental Properties
- PSA: 49.57000
- LogP: 1.00168
6-Chloropyrimidine-4-carbonitrile Security Information
- Signal Word：Warning
- Hazard Statement： H302-H315-H319-H332-H335
- Warning Statement： P280-P305+P351+P338-P310
6-Chloropyrimidine-4-carbonitrile Customs Data
- HS CODE：2933599090
- Customs Data：
China Customs Code:
2933599090Overview:
2933599090. Other compounds with pyrimidine ring in structure(Including other compounds with piperazine ring on the structure. 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, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date
Summary:
2933599090. other compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
6-Chloropyrimidine-4-carbonitrile Pricemore >>
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|---|---|---|---|---|---|---|---|---|
| Alichem | A039000026-1g |
4-Chloro-6-cyanopyrimidine |
939986-65-9 | 98% | 1g |
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4-Chloro-6-cyanopyrimidine |
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| ChemScence | CS-0044027-100mg |
6-Chloropyrimidine-4-carbonitrile |
939986-65-9 | ≥97.0% | 100mg |
$40.0 | 2022-04-26 | |
| ChemScence | CS-0044027-250mg |
6-Chloropyrimidine-4-carbonitrile |
939986-65-9 | ≥97.0% | 250mg |
$64.0 | 2022-04-26 | |
| ChemScence | CS-0044027-1g |
6-Chloropyrimidine-4-carbonitrile |
939986-65-9 | ≥97.0% | 1g |
$126.0 | 2022-04-26 | |
| TRC | B405745-10mg |
6-chloropyrimidine-4-carbonitrile |
939986-65-9 | 10mg |
$ 50.00 | 2022-06-07 | ||
| TRC | B405745-50mg |
6-chloropyrimidine-4-carbonitrile |
939986-65-9 | 50mg |
$ 115.00 | 2022-06-07 | ||
| TRC | B405745-100mg |
6-chloropyrimidine-4-carbonitrile |
939986-65-9 | 100mg |
$ 185.00 | 2022-06-07 | ||
| Chemenu | CM130045-1g |
6-chloropyrimidine-4-carbonitrile |
939986-65-9 | 97% | 1g |
$252 | 2021-08-05 | |
| Chemenu | CM130045-5g |
6-chloropyrimidine-4-carbonitrile |
939986-65-9 | 97% | 5g |
$772 | 2021-08-05 |
6-Chloropyrimidine-4-carbonitrile Production Method
Production Method 1
Reaction Conditions
1.1 Reagents: Phosphorus oxychloride ; 16 h, reflux
1.2 Reagents: Ammonium hydroxide Solvents: Water ; neutralized, cooled
1.2 Reagents: Ammonium hydroxide Solvents: Water ; neutralized, cooled
Reference
Production Method 2
Reaction Conditions
1.1 Reagents: Phosphorus oxychloride ; 30 min, 40 °C; 30 min, 60 °C; 1 h, 80 °C
1.2 Solvents: N,N-Dimethylaniline ; 1 h, 80 °C; 80 °C → 0 °C
1.3 Reagents: Water ; cooled
1.2 Solvents: N,N-Dimethylaniline ; 1 h, 80 °C; 80 °C → 0 °C
1.3 Reagents: Water ; cooled
Reference
- Preparation of 2-aminopyridine-3-carboxamides as remedies for angiogenesis mediated diseases, United States, , ,
Production Method 3
Reaction Conditions
1.1 Reagents: Chlorosuccinimide Solvents: Dimethylformamide ; rt → 75 °C
Reference
- Preparation of ibrutinib, China, , ,
Production Method 4
Reaction Conditions
1.1 Reagents: Phosphorus oxychloride ; 18 h, reflux; reflux → rt
1.2 Reagents: Water ; 0 °C
1.2 Reagents: Water ; 0 °C
Reference
- Preparation of (3-phenylisoxazolidin-2-yl)(piperidin-4-yl)methanone derivative as kinase inhibitor, Korea, , ,
Production Method 5
Reaction Conditions
1.1 Reagents: Phosphorus oxychloride ; 18 h, reflux; reflux → rt
1.2 Reagents: Water ; cooled
1.3 Reagents: Ammonia ; neutralized
1.2 Reagents: Water ; cooled
1.3 Reagents: Ammonia ; neutralized
Reference
- Indoles and azaindoles as alpha 7 nicotinic acetylcholine receptor modulators and their preparation and use in the treatment of diseases, World Intellectual Property Organization, , ,
Production Method 6
Reaction Conditions
Reference
- Indole and azaindole modulators of the alpha 7 nachr, United States, , ,
6-Chloropyrimidine-4-carbonitrile Raw materials
- 6-Hydroxypyrimidine-4-carboxamide
- Pyrimidine-4-carbonitrile
- 4-Pyrimidinecarboxaldehyde, 1,6-dihydro-6-oxo-, 4-oxime
6-Chloropyrimidine-4-carbonitrile Preparation Products
6-Chloropyrimidine-4-carbonitrile Suppliers
Amadis Chemical Company Limited
Gold Member
Audited Supplier
(CAS:939986-65-9)6-Chloropyrimidine-4-carbonitrile
Order Number:A859596
Stock Status:in Stock
Quantity:5g/25g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 08:19
Price ($):401.0/1786.0
Email:[email protected]
6-Chloropyrimidine-4-carbonitrile Related Literature
-
Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
-
Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
-
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
-
Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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Recommended suppliers
Amadis Chemical Company Limited
(CAS:939986-65-9)6-Chloropyrimidine-4-carbonitrile
Purity:99%/99%
Quantity:5g/25g
Price ($):401.0/1786.0