Cas no 1504965-88-1 (Methyl 5-amino-2-fluoro-4-methylbenzoate)
Methyl 5-amino-2-fluoro-4-methylbenzoate is a fluorinated aromatic ester with a versatile structure, combining an amino group, a fluorine substituent, and a methyl ester functionality. This compound is particularly valuable in pharmaceutical and agrochemical synthesis, where its electron-withdrawing fluorine and nucleophilic amino group enable selective derivatization. The methyl ester enhances solubility in organic solvents, facilitating further reactions such as hydrolysis or amidation. Its stable yet reactive nature makes it a useful intermediate for constructing complex molecules, including heterocycles and active pharmaceutical ingredients (APIs). The fluorine atom can influence metabolic stability and bioavailability, making it relevant in drug design. Proper handling under inert conditions is recommended due to potential sensitivity.
1504965-88-1 structure
Product Name:Methyl 5-amino-2-fluoro-4-methylbenzoate
CAS No:1504965-88-1
MF:C9H10FNO2
MW:183.179605960846
MDL:MFCD23863661
CID:4602792
PubChem ID:68202726
Update Time:2025-05-28
Methyl 5-amino-2-fluoro-4-methylbenzoate Chemical and Physical Properties
Names and Identifiers
-
- methyl 5-amino-2-fluoro-4-methylbenzoate
- 5-Amino-2-fluoro-4-methyl-benzoic acid methyl ester
- Benzoic acid, 5-amino-2-fluoro-4-methyl-, methyl ester
- CL9479
- A930087
- 1504965-88-1
- AS-46365
- CS-0153289
- EN300-3069904
- 5-Amino-2-fluoro-4-methylbenzoic acid methyl ester
- Z1392951465
- SCHEMBL12164839
- methyl5-amino-2-fluoro-4-methylbenzoate
- AKOS018829111
- MFCD23863661
- Methyl 5-amino-2-fluoro-4-methylbenzoate
-
- MDL： MFCD23863661
- Inchi： 1S/C9H10FNO2/c1-5-3-7(10)6(4-8(5)11)9(12)13-2/h3-4H,11H2,1-2H3
- InChI Key： JEGPFOWHUQYGMT-UHFFFAOYSA-N
- SMILES： FC1=CC(C)=C(C=C1C(=O)OC)N
Computed Properties
- Exact Mass: 183.06955672g/mol
- Monoisotopic Mass: 183.06955672g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 198
- 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: 1.6
- Topological Polar Surface Area: 52.3
Methyl 5-amino-2-fluoro-4-methylbenzoate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Alichem | A019097376-5g |
Methyl 5-amino-2-fluoro-4-methylbenzoate |
1504965-88-1 | 95% | 5g |
615.06 USD | 2021-06-17 | |
| Alichem | A019097376-10g |
Methyl 5-amino-2-fluoro-4-methylbenzoate |
1504965-88-1 | 95% | 10g |
897.13 USD | 2021-06-17 | |
| Alichem | A019097376-25g |
Methyl 5-amino-2-fluoro-4-methylbenzoate |
1504965-88-1 | 95% | 25g |
1,447.00 USD | 2021-06-17 | |
| SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd. | M899280-5g |
Methyl 5-amino-2-fluoro-4-methylbenzoate |
1504965-88-1 | 95% | 5g |
2,371.50 | 2021-05-17 | |
| TRC | M220328-50mg |
Methyl 5-Amino-2-Fluoro-4-Methylbenzoate |
1504965-88-1 | 50mg |
$ 50.00 | 2022-06-04 | ||
| TRC | M220328-100mg |
Methyl 5-Amino-2-Fluoro-4-Methylbenzoate |
1504965-88-1 | 100mg |
$ 65.00 | 2022-06-04 | ||
| TRC | M220328-500mg |
Methyl 5-Amino-2-Fluoro-4-Methylbenzoate |
1504965-88-1 | 500mg |
$ 185.00 | 2022-06-04 | ||
| Apollo Scientific | PC908033-1g |
Methyl 5-amino-2-fluoro-4-methylbenzoate |
1504965-88-1 | 95% | 1g |
￡60.00 | 2025-02-22 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-BC198-200mg |
Methyl 5-amino-2-fluoro-4-methylbenzoate |
1504965-88-1 | 95% | 200mg |
251.0CNY | 2021-07-17 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-BC198-1g |
Methyl 5-amino-2-fluoro-4-methylbenzoate |
1504965-88-1 | 95% | 1g |
790.0CNY | 2021-07-17 |
Methyl 5-amino-2-fluoro-4-methylbenzoate Related Literature
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1. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
-
Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
-
Jonas Kind,Lukas Kaltschnee,Martin Leyendecker,Christina M. Thiele Chem. Commun., 2016,52, 12506-12509
-
Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
-
Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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