7-(3-Chloro-propoxy)-4-(2,4-dichloro-5-methoxy-phenylamino)-6-methoxy-quinoline-3-carbonitrile
- CAS No.
- 380844-49-5
- Chemical Name:
- 7-(3-Chloro-propoxy)-4-(2,4-dichloro-5-methoxy-phenylamino)-6-methoxy-quinoline-3-carbonitrile
- Synonyms
- 7-(3-Chloropropoxy)-4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-3-quinolinecarbonitrile;Sulbactam-d5 Sodium;Bosutinib Impurity 31;Bosutinib Impurity 24;Bosutinib intermediate;1-Chloro-1-desmethylpiperazinyl-bosutinib;7-(3-Chloropropoxy)-4-(2,4-dichloro-5-methoxyphenylamino)-6-...;7-(3-chloropropoxy)-4-(2,4-dichloro-5-methoxyanilino)-6-methoxyquinoline-3-carbonitrile;7-(3-Chloro-propoxy)-4-(2,4-dichloro-5-methoxy-phenylamino)-6-methoxy-quinoline-3-carbonitrile;3-Quinolinecarbonitrile, 7-(3-chloropropoxy)-4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-
- CBNumber:
- CB71010926
- Molecular Formula:
- C21H18Cl3N3O3
- Molecular Weight:
- 466.74
- MDL Number:
- MFCD09833975
- MOL File:
- Mol file
- MSDS File:
- SDS
7-(3-Chloro-propoxy)-4-(2,4-dichloro-5-methoxy-phenylamino)-6-methoxy-quinoline-3-carbonitrile Properties
| Melting point | 183-186℃ |
|---|---|
| Boiling point | 585.6±50.0 °C(Predicted) |
| Density | 1.43 |
| storage temp. | under inert gas (nitrogen or Argon) at 2–8 °C |
| solubility | Chloroform (Slightly, Sonicated), DMSO (Slightly) |
| form | Solid |
| pka | 3.71±0.50(Predicted) |
| color | Pale Yellow to Light Yellow |
| InChI | InChI=1S/C21H18Cl3N3O3/c1-28-18-9-17(14(23)7-15(18)24)27-21-12(10-25)11-26-16-8-20(30-5-3-4-22)19(29-2)6-13(16)21/h6-9,11H,3-5H2,1-2H3,(H,26,27) |
| InChIKey | GASHKCRNJZBFBE-UHFFFAOYSA-N |
| SMILES | N1C2C(=CC(OC)=C(OCCCCl)C=2)C(NC2=CC(OC)=C(Cl)C=C2Cl)=C(C#N)C=1 |
| FDA UNII | H8BX2T3L3J |
SAFETY
Risk and Safety Statements
| Symbol(GHS) | ![]() GHS07 |
|---|---|
| Signal word | Warning |
| Hazard statements | H302-H315-H319-H335 |
| Precautionary statements | P261-P305+P351+P338 |
7-(3-Chloro-propoxy)-4-(2,4-dichloro-5-methoxy-phenylamino)-6-methoxy-quinoline-3-carbonitrile price
| Manufacturer | Product number | Product description | CAS number | Packaging | Price | Updated | Buy |
|---|---|---|---|---|---|---|---|
| TRC | TRC-C423040-500MG | 1-Chloro-1-desmethylpiperazinyl-bosutinib | 380844-49-5 | 500mg | $599 | 2026-06-03 | Buy |
| TRC | TRC-C423040-1G | 1-Chloro-1-desmethylpiperazinyl-bosutinib | 380844-49-5 | 1g | $1159 | 2026-06-03 | Buy |
| TRC | TRC-C423040-100MG | 1-Chloro-1-desmethylpiperazinyl-bosutinib | 380844-49-5 | 100mg | $148 | 2026-06-03 | Buy |
| Matrix Scientific | 120696 | 7-(3-Chloropropoxy)-4-(2,4-dichloro-5-methoxyphenyl-amino)-6-methoxyquinoline-3-carbonitrile | 380844-49-5 | 1.00g | $136 | 2026-05-18 | Buy |
| Matrix Scientific | 120696 | 7-(3-Chloropropoxy)-4-(2,4-dichloro-5-methoxyphenyl-amino)-6-methoxyquinoline-3-carbonitrile | 380844-49-5 | 5.00g | $449 | 2026-05-18 | Buy |
7-(3-Chloro-propoxy)-4-(2,4-dichloro-5-methoxy-phenylamino)-6-methoxy-quinoline-3-carbonitrile Chemical Properties, Uses, Production
Uses
1-Chloro-1-desmethylpiperazinyl-bosutinib is a useful intermediate in the green preparation of the anti-tumor agent Bosutinib (B676095). It is a COVID19-related research product.
Synthesis
98446-49-2
214470-68-5
380844-49-5
4-Chloro-7-(3-chloropropoxy)-6-methoxyquinoline-3-carbonitrile (31.2 g, 0.10 mol), 2,4-dichloro-5-methoxyaniline (21.1 g, 0.11 mol), and pyridine hydrochloride (12.8 g, 0.11 mol) were used as raw materials and mixed in 2-methoxyethanol (150 g). The reaction mixture was heated to 120 °C and maintained at this temperature for 3 hours. After completion of the reaction, the suspension was cooled to room temperature. The reaction mixture was slowly poured into water (600 g) under continuous stirring. The resulting solid product was collected by filtration and washed with water (2 x 40 g). Subsequently, the product was dried at 50 °C to afford 7-(3-chloropropoxy)-4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-3-cyanoquinoline (35.9 g, 77% yield) as an off-white solid. The structure of the product was confirmed by 1H NMR, 13C NMR and mass spectrometry (ESI).1H NMR (400 MHz, DMSO-d6) δ: 2.28 (m, J = 6.0 Hz, 2H), 3.82 (t, J = 6.0 Hz, 2H), 3.87 (s, 3H), 3.97 (s, 3H), 4.30 (t, J = 6.0 Hz, 2H). 7.35 (s, 1H), 7.37 (s, 1H), 7.75 (s, 1H), 7.85 (s, 1H), 8.43 (s, 1H), 9.63 (s, 1H).13C NMR (100 MHz, DMSO-d6) δ: 31.9, 42.1, 56.7, 57.3, 65.8, 86.9, 102.4, 110.0, 113.1, 114.0, 117.4, 120.9, 123.6, 130.3, 136.7, 146.2, 149.8, 149.9, 151.3, 152.9, 154.5. mass spectrum (ESI) m/z: 468.0 [M + H]+.
References
[1] Heterocycles, 2014, vol. 89, # 12, p. 2806 - 2813
[2] Synthesis (Germany), 2015, vol. 47, # 20, p. 3133 - 3138
[3] Patent: CN103848785, 2016, B. Location in patent: Paragraph 0087; 0088
[4] Molecules, 2010, vol. 15, # 6, p. 4261 - 4266
[5] Journal of Medicinal Chemistry, 2001, vol. 44, # 23, p. 3965 - 3977
7-(3-Chloro-propoxy)-4-(2,4-dichloro-5-methoxy-phenylamino)-6-methoxy-quinoline-3-carbonitrile Preparation Products And Raw materials
Raw materials
Preparation Products
| Supplier | Tel | Country | ProdList | Advantage | |
|---|---|---|---|---|---|
| Shanghai Boyle Chemical Co., Ltd. | sales@boylechem.com | China | 2915 | 55 | |
| Adamas Reagent, Ltd. | 400-6009262 15618770481 | yhx@titansci.com | China | 14098 | 59 |
| Jinan Trio PharmaTech Co., Ltd. | 0531-88811783 | sales@trio-pharmatech.com | China | 1856 | 62 |
| SHANGHAI YINGRUI CHEMICAL TECHNOLOGY CO.,LTD. | 21-33585366 13311639313 | sales@shyrchem.com | China | 807 | 55 |
| Biocompounds Pharmaceutical Inc. | 21-57687675 | yanjie@biocompounds.com | China | 74 | 62 |
| Taizhou Tongxin Bio-Tech Co., Ltd | 0523-86818997 18652728585 | sales@allyrise.com | China | 2986 | 60 |
| Bide Pharmatech Ltd. | 400-164-7117 18317119277 | product02@bidepharm.com | China | 40000 | 60 |
| Shanghai YuLue Chemical Co., Ltd. | 021-60345187 13671753212 | lzz841106@aliyun.com | China | 10244 | 55 |
| Changzhou Idea-Works Medical Technology Co., Ltd | 0519-83879978 | sales@ideaworkspharm.com | China | 85 | 62 |
| Credit Asia Chemical Co., Ltd. | +86 (21) 61124340 | China | 9739 | 58 |
View Latest Price from 7-(3-Chloro-propoxy)-4-(2,4-dichloro-5-methoxy-phenylamino)-6-methoxy-quinoline-3-carbonitrile manufacturers
| Image | Update time | Product | Price | Min. Order | Purity | Supply Ability | Manufacturer | |
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2019-07-06 | 7-(3-Chloropropoxy)-4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-3-quinolinecarbonitrile
380844-49-5
|
$150.00 | 1KG | 98% | 200KG | Career Henan Chemical Co |
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![7-(3-Chloropropoxy)-4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-3-quinolinecarbonitrile pictures](https://img.chemicalbook.com/ProductImageEN/2018-7/Small/0865fa1d-0296-45fd-8c7f-c6a31748842f.gif)
- 7-(3-Chloropropoxy)-4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-3-quinolinecarbonitrile
380844-49-5
- $150.00
- 98%
- Career Henan Chemical Co
7-(3-Chloro-propoxy)-4-(2,4-dichloro-5-methoxy-phenylamino)-6-methoxy-quinoline-3-carbonitrile Spectrum
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