ChemicalBook > CAS DataBase List > ETHYL 4,6-DICHLORO-3-QUINOLINECARBOXYLATE

ETHYL 4,6-DICHLORO-3-QUINOLINECARBOXYLATE

Product Name
ETHYL 4,6-DICHLORO-3-QUINOLINECARBOXYLATE
CAS No.
21168-41-2
Chemical Name
ETHYL 4,6-DICHLORO-3-QUINOLINECARBOXYLATE
Synonyms
4,6-dichloroquinoline-3-carboxylate;ETHYL 4,6-DICHLORO-3-QUINOLINECARBOXYLATE;ETHYL 4,6-DICHLOROQUINOLINE-3-CARBOXYLATE;Ethyl 4,6-dichloro-quinolin-3-carboxylate;Ethyl4,6-dichloroquinoline-3-carboxylate,97%;4,6-Dichloroquinoline-3-carboxylic acid ethyl ester;3-Quinolinecarboxylic acid, 4,6-dichloro-, ethyl ester
CBNumber
CB0293561
Molecular Formula
C12H9Cl2NO2
Formula Weight
270.11
MOL File
21168-41-2.mol
More
Less

ETHYL 4,6-DICHLORO-3-QUINOLINECARBOXYLATE Property

Melting point:
90-91℃
Boiling point:
351.3±37.0 °C(Predicted)
Density 
1.384±0.06 g/cm3 (20 ºC 760 Torr)
storage temp. 
under inert gas (nitrogen or Argon) at 2-8°C
pka
0.98±0.27(Predicted)
form 
solid
Appearance
Off-white to light yellow Solid
CAS DataBase Reference
21168-41-2
More
Less

Safety

Hazard Codes 
Xi
Risk Statements 
36
Safety Statements 
26
HS Code 
2933992000
More
Less

Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word
Warning
Hazard statements

H315Causes skin irritation

H319Causes serious eye irritation

H335May cause respiratory irritation

Precautionary statements

P261Avoid breathing dust/fume/gas/mist/vapours/spray.

P304+P340IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

P405Store locked up.

More
Less

N-Bromosuccinimide Price

Sigma-Aldrich
Product number
BBO000632
Product name
4,6-Dichloroquinoline-3-carboxylic acid ethyl ester
Packaging
1 g
Price
$286
Updated
2025/07/31
American Custom Chemicals Corporation
Product number
HCH0069802
Product name
ETHYL 4,6-DICHLORO-3-QUINOLINECARBOXYLATE
Purity
95.00%
Packaging
250MG
Price
$136.5
Updated
2021/12/16
AK Scientific
Product number
0803AB
Product name
Ethyl4,6-dichloroquinoline-3-carboxylate
Packaging
1g
Price
$217
Updated
2021/12/16
American Custom Chemicals Corporation
Product number
HCH0069802
Product name
ETHYL 4,6-DICHLORO-3-QUINOLINECARBOXYLATE
Purity
95.00%
Packaging
1G
Price
$806.48
Updated
2021/12/16
AK Scientific
Product number
0803AB
Product name
Ethyl4,6-dichloroquinoline-3-carboxylate
Packaging
5g
Price
$815
Updated
2021/12/16
More
Less

ETHYL 4,6-DICHLORO-3-QUINOLINECARBOXYLATE Chemical Properties,Usage,Production

Uses

It is used as a pharmaceutical intermediate.

Synthesis

70271-77-1

21168-41-2

General procedure for the synthesis of ethyl 4,6-dichloroquinoline-3-carboxylate from ethyl 4-hydroxy-6-chloroquinoline-3-carboxylate: a 5-chloro-4-hydroxyquinoline-3-carboxylic acid ethyl ester (DK-I-34-1, 85.1 g, 338.1 mmol), N,N-dimethylformamide (1.0 mL, 12.9 mmol) and dichloromethane (640 mL) The mixture was heated to 35-40°C. Oxalyl chloride (47.2 g, 371.9 mmol) was added slowly and dropwise to the reaction mixture over 30 minutes. The reaction mixture was then heated at reflux temperature (38-40 °C) for 6 hours. Upon completion of the reaction, the resulting light yellow solution was cooled to 20-25 °C. The reaction mixture was neutralized by slow addition of 25% aqueous potassium carbonate solution (75 g of potassium carbonate dissolved in 300 mL of water). The organic and aqueous layers were separated and the aqueous layer was extracted with dichloromethane (200 mL). The combined organic layers were washed with 25% aqueous potassium carbonate (50 g potassium carbonate dissolved in 200 mL of water) and subsequently dried over magnesium sulfate. The solvent was removed by rotary evaporator and the product residue was slurried with hexane (200 mL). The solid product was filtered and washed twice with hexane (50 mL x 2). The solid was dried to give the off-white solid product DK-I-35-1 (81.9 g, 90% yield). The structure of the product was determined by 1H NMR (300 MHz, DMSO) δ 9.13 (s, 1H), 8.30 (d, J=2.2 Hz, 1H), 8.14 (d, J=9.0 Hz, 1H), 7.97 (dd, J=9.0,2.3 Hz, 1H), 4.44 (q, J=7.1 Hz, 2H), 1.39 (t, J=7.1 Hz , 3H); 13C NMR (75 MHz, DMSO) δ 164.01,150.53,147.73,141.04,134.30,133.34,132.20,126.53,124.37,124.08,62.59; HRMS m/z calculated value C12H10Cl2NO2 (M+H)+ 270.0088, measured value 270.10 confirmed.

References

[1] Patent: WO2016/196961, 2016, A1. Location in patent: Paragraph 00148
[2] Journal of Medicinal Chemistry, 2018, vol. 61, # 6, p. 2422 - 2446
[3] Journal of Medicinal Chemistry, 2012, vol. 55, # 7, p. 3578 - 3582
[4] Journal of Medicinal Chemistry, 1993, vol. 36, # 11, p. 1669 - 1673
[5] Farmaco, 1998, vol. 53, # 8-9, p. 579 - 585

ETHYL 4,6-DICHLORO-3-QUINOLINECARBOXYLATE Preparation Products And Raw materials

Raw materials

Preparation Products

More
Less

ETHYL 4,6-DICHLORO-3-QUINOLINECARBOXYLATE Suppliers

3B Pharmachem (Wuhan) International Co.,Ltd.
Tel
821-50328103-801 18930552037
Fax
86-21-50328109
Email
3bsc@sina.com
Country
China
ProdList
15838
Advantage
69
Alfa Aesar
Tel
400-6106006
Fax
021-67582001/03/05
Email
saleschina@alfa-asia.com
Country
China
ProdList
30123
Advantage
84
Wuhan Chemwish Technology Co., Ltd
Tel
86-027-67849912
Fax
86-027-87531808
Email
sales@chemwish.com
Country
China
ProdList
35896
Advantage
56
Beijing Ouhe Technology Co., Ltd
Tel
010-010-82967028 13522913783
Fax
+86-10-82967029
Email
2355560935@qq.com
Country
China
ProdList
12000
Advantage
60
Jia Xing Isenchem Co.,Ltd
Tel
0573-85285100 18627885956
Fax
0573-85285100
Email
isenchem@163.com
Country
China
ProdList
9310
Advantage
66
Shangchem Co., Ltd.
Tel
+86-21-68182121
Fax
+86-21-68182121
Country
China
ProdList
882
Advantage
52
skychemical Co.Ltd
Tel
021-20958197 20965099
Fax
021-20960837
Email
sales@skychemical.com
Country
China
ProdList
1183
Advantage
57
Wuhan Haizheng Industry & Trade Development Co. Ltd
Tel
027-8866 0053/88660577/88660578
Fax
027-8899 1911
Country
China
ProdList
1073
Advantage
55
SynAsst Chemical.
Tel
021-60343070
Fax
021-35122006
Country
China
ProdList
12740
Advantage
55
Shanghai Raise Chemical Technology Co.,Ltd
Tel
+86-021-50935922
Fax
+86-021-33847795
Country
China
ProdList
7865
Advantage
55