- Preparation of isoxazole compounds as therapeutic farnesoid X receptor agonists, United States, , ,
Cas no 948289-14-3 (Ethyl 6-bromo-2-methylquinoline-3-carboxylate)
Ethyl 6-bromo-2-methylquinoline-3-carboxylate is a brominated quinoline derivative with significant utility in organic synthesis and pharmaceutical research. Its structure features a reactive bromo substituent at the 6-position, enabling further functionalization via cross-coupling reactions, while the ester group at the 3-position offers versatility for hydrolysis or transesterification. The 2-methyl group enhances steric and electronic properties, influencing reactivity and selectivity in heterocyclic transformations. This compound serves as a valuable intermediate in the development of bioactive molecules, particularly in medicinal chemistry for the synthesis of potential therapeutic agents. Its well-defined crystalline form ensures consistent purity, making it suitable for precise synthetic applications.
948289-14-3 structure
Product Name:Ethyl 6-bromo-2-methylquinoline-3-carboxylate
CAS No:948289-14-3
MF:C13H12BrNO2
MW:294.143882751465
MDL:MFCD09787812
CID:1081646
PubChem ID:17039982
Update Time:2025-05-26
Ethyl 6-bromo-2-methylquinoline-3-carboxylate Chemical and Physical Properties
Names and Identifiers
-
- Ethyl 6-bromo-2-methylquinoline-3-carboxylate
- 3,4-DICHLORO-5,8-DIFLUOROQUINOLINE
- 6-BROMO-2-METHYLQUINOLINE-3-CARBOXYLIC ACID ETHYL ESTER
- ethyl 6-bromo-2-methyl-3-quinolinecarboxylate
- DB-080034
- WOWPFIGSWCNAHK-UHFFFAOYSA-N
- CS-0163774
- AS-81961
- EN300-25075282
- DTXSID60589129
- AKOS022174574
- Z2213890521
- 948289-14-3
- Ethyl6-bromo-2-methylquinoline-3-carboxylate
- AB52298
- MFCD09787812
- 6-Bromo-2-methylquinoline-3-carboxylic acid ethyl ester, AldrichCPR
- SCHEMBL2000858
- YMB28914
-
- MDL： MFCD09787812
- Inchi： 1S/C13H12BrNO2/c1-3-17-13(16)11-7-9-6-10(14)4-5-12(9)15-8(11)2/h4-7H,3H2,1-2H3
- InChI Key： WOWPFIGSWCNAHK-UHFFFAOYSA-N
- SMILES： O=C(C1C(C)=NC2C(=CC(=CC=2)Br)C=1)OCC
Computed Properties
- Exact Mass: 293.00500
- Monoisotopic Mass: 293.00514g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 17
- Rotatable Bond Count: 3
- Complexity: 285
- 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: 3.5
- Topological Polar Surface Area: 39.2?2
Experimental Properties
- Density: 1.4±0.1 g/cm3
- Boiling Point: 358.5±37.0 °C at 760 mmHg
- Flash Point: 170.6±26.5 °C
- Refractive Index: 1.615
- PSA: 39.19000
- LogP: 3.48240
- Vapor Pressure: 0.0±0.8 mmHg at 25°C
Ethyl 6-bromo-2-methylquinoline-3-carboxylate Security Information
-
Symbol:
- Signal Word：Danger
- Hazard Statement： H318
- Warning Statement： P280-P305+P351+P338
- Hazardous Material transportation number：NONH for all modes of transport
- WGK Germany：3
- Hazard Category Code： 41
- Safety Instruction： 26-39
-
Hazardous Material Identification：
- Storage Condition：storage at -4℃ (1-2weeks), longer storage period at -20℃ (1-2years)
Ethyl 6-bromo-2-methylquinoline-3-carboxylate Customs Data
- HS CODE：2933499090
- Customs Data：
China Customs Code:
2933499090Overview:
2933499090. Other compounds containing quinoline or isoquinoline ring system [but not further fused]. 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:
2933499090. other compounds containing in the structure a quinoline or isoquinoline ring-system (whether or not hydrogenated), not further fused. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
Ethyl 6-bromo-2-methylquinoline-3-carboxylate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| XI GE MA AO DE LI QI （ SHANG HAI ） MAO YI Co., Ltd. | BBO000199-1G |
6-Bromo-2-methylquinoline-3-carboxylic acid ethyl ester |
948289-14-3 | 1g |
￥4295.04 | 2023-11-10 | ||
| TRC | E941700-50mg |
Ethyl 6-Bromo-2-Methylquinoline-3-Carboxylate |
948289-14-3 | 50mg |
$ 50.00 | 2022-06-05 | ||
| TRC | E941700-100mg |
Ethyl 6-Bromo-2-Methylquinoline-3-Carboxylate |
948289-14-3 | 100mg |
$ 70.00 | 2022-06-05 | ||
| TRC | E941700-500mg |
Ethyl 6-Bromo-2-Methylquinoline-3-Carboxylate |
948289-14-3 | 500mg |
$ 250.00 | 2022-06-05 | ||
| Alichem | A189008159-1g |
Ethyl 6-bromo-2-methylquinoline-3-carboxylate |
948289-14-3 | 95% | 1g |
$446.76 | 2023-08-31 | |
| Chemenu | CM144115-5g |
ethyl 6-bromo-2-methylquinoline-3-carboxylate |
948289-14-3 | 95% | 5g |
$621 | 2021-08-05 | |
| Apollo Scientific | OR309204-1g |
6-Bromo-2-methylquinoline-3-carboxylic acid ethyl ester |
948289-14-3 | 1g |
￡169.00 | 2025-02-20 | ||
| Chemenu | CM144115-250mg |
ethyl 6-bromo-2-methylquinoline-3-carboxylate |
948289-14-3 | 95%+ | 250mg |
$*** | 2023-05-29 | |
| Chemenu | CM144115-1g |
ethyl 6-bromo-2-methylquinoline-3-carboxylate |
948289-14-3 | 95%+ | 1g |
$*** | 2023-05-29 | |
| eNovation Chemicals LLC | D541595-10g |
6-BROMO-2-METHYLQUINOLINE-3-CARBOXYLIC ACID ETHYL ESTER |
948289-14-3 | 97% | 10g |
$1000 | 2023-09-03 |
Ethyl 6-bromo-2-methylquinoline-3-carboxylate Production Method
Production Method 1
Reaction Conditions
1.1 Reagents: Zinc chloride , Stannous chloride Solvents: Diethyl ether , Ethanol ; 3 h, 70 °C; 70 °C → rt
1.2 Reagents: Sodium bicarbonate Solvents: Water
1.2 Reagents: Sodium bicarbonate Solvents: Water
Reference
Production Method 2
Reaction Conditions
1.1 Reagents: Iron Solvents: Acetic acid ; rt; rt → 50 °C; 1 h, 50 °C; 50 °C → rt
1.2 Reagents: Sodium hydroxide Solvents: Water ; basified, rt
1.2 Reagents: Sodium hydroxide Solvents: Water ; basified, rt
Reference
- Acetic Acid Promoted Redox Annulations with Dual C-H FunctionalizationZhu, Zhengbo; Seidel, Daniel, Organic Letters, 2017, 19(11), 2841-2844
Production Method 3
Reaction Conditions
1.1 Solvents: Water ; 2 d, 70 °C
Reference
- Lewis Acid-Catalyzed C(sp3)-C(sp3) Bond Forming Cyclization Reactions for the Synthesis of Tetrahydroprotoberberine DerivativesLi, Jianjun; Qin, Cong; Yu, Yang; Fan, Huaqiang; Fu, Yiwei; et al, Advanced Synthesis & Catalysis, 2017, 359(13), 2191-2195
Ethyl 6-bromo-2-methylquinoline-3-carboxylate Raw materials
Ethyl 6-bromo-2-methylquinoline-3-carboxylate Preparation Products
Ethyl 6-bromo-2-methylquinoline-3-carboxylate Related Literature
-
J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
-
Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
-
Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
-
Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
-
Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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