- C-H functionalization of heterocycles with triplet carbenes via an unexpected 1,2-alkyl radical migrationEmpel, Claire; Jana, Sripati; Ciszewski, Lukasz; Zawada, Katarzyna; Pei, Chao; et al, ChemRxiv, 2022, 1, 1-12
Cas no 919295-78-6 (1H-Indole-3-acetic acid, 4-fluoro-, ethyl ester)
919295-78-6 structure
Product Name:1H-Indole-3-acetic acid, 4-fluoro-, ethyl ester
CAS No:919295-78-6
MF:C12H12FNO2
MW:221.227586746216
MDL:MFCD13191901
CID:764436
PubChem ID:16099886
Update Time:2024-03-01
1H-Indole-3-acetic acid, 4-fluoro-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 1H-Indole-3-acetic acid, 4-fluoro-, ethyl ester
- ethyl 2-(4-fluoro-1H-indol-3-yl)acetate
- Ethyl 4-fluoro-1H-indole-3-acetate (ACI)
- (4-Fluoro-1H-indol-3-yl)acetic acid ethyl ester
-
- MDL: MFCD13191901
- Inchi: 1S/C12H12FNO2/c1-2-16-11(15)6-8-7-14-10-5-3-4-9(13)12(8)10/h3-5,7,14H,2,6H2,1H3
- InChI Key: PYSOOGMMVSEHLW-UHFFFAOYSA-N
- SMILES: O=C(CC1C2C(=CC=CC=2F)NC=1)OCC
Computed Properties
- Exact Mass: 221.08500
- Monoisotopic Mass: 221.08520679g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 4
- Complexity: 259
- 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: 2.3
- Topological Polar Surface Area: 42.1?2
Experimental Properties
- PSA: 42.09000
- LogP: 2.41260
1H-Indole-3-acetic acid, 4-fluoro-, ethyl ester Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| eNovation Chemicals LLC | D776920-1g |
Ethyl 4-Fluoroindole-3-acetate |
919295-78-6 | 95% | 1g |
$605 | 2024-07-20 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1528652-1g |
Ethyl 2-(4-fluoro-1H-indol-3-yl)acetate |
919295-78-6 | 98% | 1g |
¥4752.00 | 2024-04-25 | |
| eNovation Chemicals LLC | D776920-1g |
Ethyl 4-Fluoroindole-3-acetate |
919295-78-6 | 95% | 1g |
$605 | 2025-02-24 | |
| eNovation Chemicals LLC | D776920-1g |
Ethyl 4-Fluoroindole-3-acetate |
919295-78-6 | 95% | 1g |
$605 | 2025-02-21 | |
| Ambeed | A293868-250mg |
Ethyl 2-(4-fluoro-1H-indol-3-yl)acetate |
919295-78-6 | 97% | 250mg |
$465.0 | 2025-04-15 | |
| Ambeed | A293868-1g |
Ethyl 2-(4-fluoro-1H-indol-3-yl)acetate |
919295-78-6 | 97% | 1g |
$1164.0 | 2025-04-15 | |
| SHANG HAI SHAO YUAN SHI JI Co., Ltd. | SY058707-1g |
Ethyl 4-Fluoroindole-3-acetate |
919295-78-6 | ≥95% | 1g |
¥5109.68 | 2025-04-11 |
1H-Indole-3-acetic acid, 4-fluoro-, ethyl ester Production Method
Production Method 1
Reaction Conditions
1.1 Catalysts: Tris[2-(2-pyridinyl-κN)phenyl-κC]iridium Solvents: Dichloromethane ; 8 h, rt
Reference
Production Method 2
Reaction Conditions
1.1 Reagents: Butyllithium Solvents: Tetrahydrofuran , Hexane ; 15 min, < 0 °C
1.2 Reagents: Zinc chloride Solvents: Ethanol ; 0 °C → rt; 24 h, rt
1.3 Solvents: Toluene ; 24 h, rt
1.2 Reagents: Zinc chloride Solvents: Ethanol ; 0 °C → rt; 24 h, rt
1.3 Solvents: Toluene ; 24 h, rt
Reference
- Discovery and Refinement of a New Structural Class of Potent Peptide Deformylase InhibitorsBoularot, Adrien; Giglione, Carmela; Petit, Sylvain; Duroc, Yann; de Sousa, Rodolphe Alves; et al, Journal of Medicinal Chemistry, 2007, 50(1), 10-20
Production Method 3
Reaction Conditions
1.1 Catalysts: Copper(II) triflate Solvents: Dichloromethane ; > rt; overnight, rt
Reference
- Preparation of indole and indazole derivatives as muscarinic M1 receptor pos. allosteric modulators, World Intellectual Property Organization, , ,
Production Method 4
Reaction Conditions
1.1 Catalysts: Tris[2-(2-pyridinyl-κN)phenyl-κC]iridium Solvents: Dichloromethane ; 8 h, rt
Reference
- C-H Functionalization of Heterocycles with Triplet Carbenes by means of an Unexpected 1,2-Alkyl Radical MigrationEmpel, Claire ; Jana, Sripati ; Ciszewski, Lukasz W. ; Zawada, Katarzyna ; Pei, Chao; et al, Chemistry - A European Journal, 2023, 29(29),
Production Method 5
Reaction Conditions
1.1 Catalysts: Copper(II) triflate Solvents: Dichloromethane ; rt → 0 °C; 0 °C; 1 h, 0 °C → rt
Reference
- Tetrahydropyranoindoles, derivatives thereof, and their methods of synthesis and use, United States, , ,
Production Method 6
Reaction Conditions
1.1 Catalysts: Copper(II) triflate Solvents: Dichloromethane ; rt → 0 °C
1.2 Solvents: Dichloromethane ; 0 °C; 1 h, 0 °C → rt
1.2 Solvents: Dichloromethane ; 0 °C; 1 h, 0 °C → rt
Reference
- A Cooperative Hydrogen Bond Donor-Bronsted Acid System for the Enantioselective Synthesis of TetrahydropyransMaskeri, Mark A.; O'Connor, Matthew J.; Jaworski, Ashley A.; Bay, Anna V. ; Scheidt, Karl A., Angewandte Chemie, 2018, 57(52), 17225-17229
1H-Indole-3-acetic acid, 4-fluoro-, ethyl ester Raw materials
1H-Indole-3-acetic acid, 4-fluoro-, ethyl ester Preparation Products
1H-Indole-3-acetic acid, 4-fluoro-, ethyl ester Suppliers
Amadis Chemical Company Limited
Gold Member
(CAS:919295-78-6)1H-Indole-3-acetic acid, 4-fluoro-, ethyl ester
Order Number:A916320
Stock Status:in Stock
Quantity:1g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 12:59
Price ($):641.0
Email:[email protected]
1H-Indole-3-acetic acid, 4-fluoro-, ethyl ester Related Literature
-
Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
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3. An integrated chip for immunofluorescence and its application to analyze lysosomal storage disordersJie Shen,Ying Zhou,Tu Lu,Junya Peng,Zhixiang Lin,Yuhong Pang,Li Yu Lab Chip, 2012,12, 317-324
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Fuming Xiao,Mengzhu Wang,Yunxiang Lei,Wenbo Dai,Yunbing Zhou,Miaochang Liu,Wenxia Gao,Xiaobo Huang,Huayue Wu J. Mater. Chem. C, 2020,8, 17410-17416
-
Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
Related Categories
- Solvents and Organic Chemicals Organic Compounds Organoheterocyclic compounds Indoles and derivatives Indole-3-acetic acid derivatives
- Solvents and Organic Chemicals Organic Compounds Organoheterocyclic compounds Indoles and derivatives Indolyl carboxylic acids and derivatives Indole-3-acetic acid derivatives
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Recommended suppliers
Amadis Chemical Company Limited
(CAS:919295-78-6)1H-Indole-3-acetic acid, 4-fluoro-, ethyl ester
Purity:99%
Quantity:1g
Price ($):641.0