ChemicalBook >> CAS DataBase List >>7-(3-CHLORO-PROPOXY)-4-(2,4-DICHLORO-5-METHOXY-PHENYLAMINO)-6-METHOXY-QUINOLINE-3-CARBONITRILE

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
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-Chloropropoxy)-4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-3-quinolinecarbonitrile;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
Last updated:2025-07-24 18:13:52
Product description Number Pack Size Price
7-(3-Chloropropoxy)-4-(2,4-dichloro-5-methoxyphenyl-amino)-6-methoxyquinoline-3-carbonitrile 97% 120696 1g $1440
7-(3-Chloropropoxy)-4-((2,4-dichloro-5-methoxyphenyl)amino)-6-methoxyquinoline-3-carbonitrile 3621CS 5g $3160
7-(3-Chloropropoxy)-4-(2,4-dichloro-5-methoxyphenyl-amino)-6-methoxyquinoline-3-carbonitrile 97% 120696 5g $3960
7-(3-Chloropropoxy)-4-(2,4-dichloro-5-methoxyphenyl-amino)-6-methoxyquinoline-3-carbonitrile 95% CM145796 5g $1477
7-(3-Chloropropoxy)-4-((2,4-dichloro-5-methoxyphenyl)amino)-6-methoxyquinoline-3-carbonitrile 95+% CD11132362 5g $1565
More product size

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

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
Matrix Scientific 120696 7-(3-Chloropropoxy)-4-(2,4-dichloro-5-methoxyphenyl-amino)-6-methoxyquinoline-3-carbonitrile 97% 380844-49-5 1g $1440 2021-12-16 Buy
AK Scientific 3621CS 7-(3-Chloropropoxy)-4-((2,4-dichloro-5-methoxyphenyl)amino)-6-methoxyquinoline-3-carbonitrile 380844-49-5 5g $3160 2021-12-16 Buy
Matrix Scientific 120696 7-(3-Chloropropoxy)-4-(2,4-dichloro-5-methoxyphenyl-amino)-6-methoxyquinoline-3-carbonitrile 97% 380844-49-5 5g $3960 2021-12-16 Buy
Chemenu CM145796 7-(3-Chloropropoxy)-4-(2,4-dichloro-5-methoxyphenyl-amino)-6-methoxyquinoline-3-carbonitrile 95% 380844-49-5 5g $1477 2021-12-16 Buy
Crysdot CD11132362 7-(3-Chloropropoxy)-4-((2,4-dichloro-5-methoxyphenyl)amino)-6-methoxyquinoline-3-carbonitrile 95+% 380844-49-5 5g $1565 2021-12-16 Buy
Product number Packaging Price Buy
120696 1g $1440 Buy
3621CS 5g $3160 Buy
120696 5g $3960 Buy
CM145796 5g $1477 Buy
CD11132362 5g $1565 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

2,4-Dichloro-5-methoxyaniline

98446-49-2

4-CHLORO-7-(3-CHLORO-PROPOXY)-6-METHOXY-QUINOLINE-3-CARBONITRILE

214470-68-5

7-(3-CHLORO-PROPOXY)-4-(2,4-DICHLORO-5-METHOXY-PHENYLAMINO)-6-METHOXY-QUINOLINE-3-CARBONITRILE

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

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Image Update time Product Price Min. Order Purity Supply Ability Manufacturer
7-(3-Chloropropoxy)-4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-3-quinolinecarbonitrile pictures 2019-07-06 7-(3-Chloropropoxy)-4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-3-quinolinecarbonitrile
380844-49-5
US $150.00 / KG 1KG 98% 200KG Career Henan Chemical Co

7-(3-CHLORO-PROPOXY)-4-(2,4-DICHLORO-5-METHOXY-PHENYLAMINO)-6-METHOXY-QUINOLINE-3-CARBONITRILE Spectrum

7-(3-CHLORO-PROPOXY)-4-(2,4-DICHLORO-5-METHOXY-PHENYLAMINO)-6-METHOXY-QUINOLINE-3-CARBONITRILE 7-(3-Chloropropoxy)-4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-3-quinolinecarbonitrile 7-(3-chloropropoxy)-4-(2,4-dichloro-5-methoxyanilino)-6-methoxyquinoline-3-carbonitrile Bosutinib intermediate Bosutinib Impurity 24 Bosutinib Impurity 31 3-Quinolinecarbonitrile, 7-(3-chloropropoxy)-4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-methoxy- 7-(3-CHLORO-PROPOXY)-4-(2,4-DICHLORO-5-METHOXY-PHENYLAMINO)-6-METHOXY-QUINOLINE-3-CARBONITRILE ISO 9001:2015 REACH 1-Chloro-1-desmethylpiperazinyl-bosutinib 7-(3-Chloropropoxy)-4-(2,4-dichloro-5-methoxyphenylamino)-6-... Sulbactam-d5 Sodium 380844-49-5 C21H18Cl3N3O3