- From off-to on-target: New BRAF-inhibitor-template-derived compounds selectively targeting mitogen activated protein kinase kinase 4 (MKK4)Kloevekorn, Philip; Pfaffenrot, Bent; Juchum, Michael; Selig, Roland ; Albrecht, Wolfgang ; et al, European Journal of Medicinal Chemistry, 2021, 210,
Cas no 946126-94-9 (Methyl 2-Fluoro-3-nitrobenzoate)
946126-94-9 structure
Product Name:Methyl 2-Fluoro-3-nitrobenzoate
CAS No:946126-94-9
MF:C8H6FNO4
MW:199.135945796967
MDL:MFCD10566813
CID:822315
PubChem ID:13470961
Update Time:2024-10-25
Methyl 2-Fluoro-3-nitrobenzoate Chemical and Physical Properties
Names and Identifiers
-
- Methyl 2-fluoro-3-nitrobenzoate
- C8H6FNO4
- 2-fluoro-3-nitrobenzoic acid methyl ester
- methyl fluoronitrobenzoate
- RW3020
- 2-Fluoro-3-nitro-benzoic acid methyl ester
- PubChem21941
- VEKYKLDXYNUERO-UHFFFAOYSA-N
- AS07007
- LS11777
- SY046595
- AB0007795
- W9697
- ST24030958
- DTXSID80541663
- CS-D1659
- Methyl 2-fluoro-3-nitro-benzoate
- SB40157
- AKOS006302221
- GS-4232
- 946126-94-9
- MFCD10566813
- SCHEMBL960443
- 2-Fluoro-3-nitrobenzoic acid mehty ester
- EN300-267902
- Methyl2-fluoro-3-nitrobenzoate
- J-522015
- DB-079976
- Methyl 2-Fluoro-3-nitrobenzoate
-
- MDL: MFCD10566813
- Inchi: 1S/C8H6FNO4/c1-14-8(11)5-3-2-4-6(7(5)9)10(12)13/h2-4H,1H3
- InChI Key: VEKYKLDXYNUERO-UHFFFAOYSA-N
- SMILES: O=C(C1C(F)=C([N+](=O)[O-])C=CC=1)OC
Computed Properties
- Exact Mass: 199.02800
- Monoisotopic Mass: 199.02808583g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 240
- 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: 1.8
- Topological Polar Surface Area: 72.1
Experimental Properties
- Density: 1.388±0.06 g/cm3 (20 oC 760 Torr),
- Solubility: Very slightly soluble (0.46 g/l) (25 o C),
- PSA: 72.12000
- LogP: 2.04370
Methyl 2-Fluoro-3-nitrobenzoate Customs Data
- HS CODE:2916399090
- Customs Data:
China Customs Code:
2916399090Overview:
2916399090 Other aromatic monocarboxylic acids. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:30.0%
Declaration elements:
Product Name, component content, use to, Acrylic acid\Acrylates or esters shall be packaged clearly
Summary:
2916399090 other aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%
Methyl 2-Fluoro-3-nitrobenzoate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| JIE DA WEI ( SHANG HAI ) YI YAO KE JI FA ZHAN Co., Ltd. | 05R0601-1g |
2-Fluoro-3-nitro-benzoic acid methyl ester |
946126-94-9 | 97% | 1g |
237.45CNY | 2021-05-08 | |
| JIE DA WEI ( SHANG HAI ) YI YAO KE JI FA ZHAN Co., Ltd. | 05R0601-5g |
2-Fluoro-3-nitro-benzoic acid methyl ester |
946126-94-9 | 97% | 5g |
865CNY | 2021-05-08 | |
| JIE DA WEI ( SHANG HAI ) YI YAO KE JI FA ZHAN Co., Ltd. | 05R0601-25g |
2-Fluoro-3-nitro-benzoic acid methyl ester |
946126-94-9 | 97% | 25g |
2628.93CNY | 2021-05-08 | |
| Chemenu | CM158384-5g |
Methyl 2-fluoro-3-nitrobenzoate |
946126-94-9 | 95+% | 5g |
$122 | 2021-06-16 | |
| Chemenu | CM158384-10g |
Methyl 2-fluoro-3-nitrobenzoate |
946126-94-9 | 95+% | 10g |
$194 | 2021-06-16 | |
| Chemenu | CM158384-25g |
Methyl 2-fluoro-3-nitrobenzoate |
946126-94-9 | 95+% | 25g |
$355 | 2021-06-16 | |
| Fluorochem | 066784-250mg |
Methyl 2-Fluoro-3-nitrobenzoate |
946126-94-9 | 97% | 250mg |
£10.00 | 2022-03-01 | |
| Fluorochem | 066784-1g |
Methyl 2-Fluoro-3-nitrobenzoate |
946126-94-9 | 97% | 1g |
£26.00 | 2022-03-01 | |
| Fluorochem | 066784-5g |
Methyl 2-Fluoro-3-nitrobenzoate |
946126-94-9 | 97% | 5g |
£89.00 | 2022-03-01 | |
| Fluorochem | 066784-10g |
Methyl 2-Fluoro-3-nitrobenzoate |
946126-94-9 | 97% | 10g |
£150.00 | 2022-03-01 |
Methyl 2-Fluoro-3-nitrobenzoate Production Method
Production Method 1
Reaction Conditions
1.1 Reagents: Oxalyl chloride Catalysts: Dimethylformamide Solvents: Dichloromethane ; rt
1.2 5 min, rt
1.2 5 min, rt
Reference
Production Method 2
Reaction Conditions
1.1 Reagents: Oxalyl chloride Catalysts: Dimethylformamide Solvents: Dichloromethane ; rt
1.2 rt
1.2 rt
Reference
- Preparation of 1H-pyrrolo[2,3-b]pyridines as selective MKK4 kinase inhibitors for promoting liver regeneration or reducing or preventing hepatocyte death, World Intellectual Property Organization, , ,
Production Method 3
Reaction Conditions
1.1 Catalysts: Sulfuric acid Solvents: Methanol , Water ; overnight, 70 °C; 70 °C → rt
Reference
- Preparation of benzenesulfonamidethiazole derivatives and analogs for use as B-Raf protein kinase inhibitors, World Intellectual Property Organization, , ,
Production Method 4
Reaction Conditions
1.1 Reagents: Cesium fluoride Solvents: Dimethyl sulfoxide ; 40 min, 140 °C
Reference
- Preparation of 2-oxo-2H-benzopyran derivatives and benzo[e][1,3]oxazine-2,4-dione derivatives as P27 protein inducers, World Intellectual Property Organization, , ,
Production Method 5
Reaction Conditions
1.1 Catalysts: Sulfuric acid Solvents: Methanol ; 16 h, 50 °C
Reference
- Preparation of oxazoles and thiazoles as protein kinase inhibitors, World Intellectual Property Organization, , ,
Production Method 6
Reaction Conditions
1.1 Reagents: Cesium fluoride Solvents: Dimethylformamide ; 1 h, 140 °C
Reference
- Fluorinated aniline derivatives and their preparation, Japan, , ,
Production Method 7
Reaction Conditions
1.1 Reagents: Potassium fluoride Solvents: Dimethylformamide ; rt → 145 °C; 2 h, 110 - 140 °C; 140 °C → 50 °C
1.2 15 min, 50 °C
1.3 Solvents: Water ; 10 min, rt
1.2 15 min, 50 °C
1.3 Solvents: Water ; 10 min, rt
Reference
- Process for the preparation of substituted benzoates, India, , ,
Production Method 8
Reaction Conditions
Reference
- Preparation of coumarin derivatives as antitumor agents, World Intellectual Property Organization, , ,
Production Method 9
Reaction Conditions
1.1 Catalysts: Sulfuric acid Solvents: Methanol , Water ; overnight, 70 °C; 70 °C → rt
Reference
- Preparation of benzene sulfonamide thiazole and oxazole compounds, World Intellectual Property Organization, , ,
Production Method 10
Reaction Conditions
1.1 Reagents: Potassium carbonate Solvents: Dimethylformamide ; rt
1.2 1 h, rt
1.3 Reagents: Water
1.2 1 h, rt
1.3 Reagents: Water
Reference
- Preparation of thiazole kinase inhibitors, China, , ,
Production Method 11
Reaction Conditions
1.1 Reagents: Sulfuric acid Solvents: Methanol ; 2 h, 60 °C
Reference
- Crystallographic Realization of the Mathematically Predicted Densest All-Pentagon Packing Lattice by C5-Symmetric "Sticky" FluoropentamersRen, Changliang; Zhou, Feng; Qin, Bo; Ye, Ruijuan; Shen, Sheng; et al, Angewandte Chemie, 2011, 50(45), 10612-10615
Production Method 12
Reaction Conditions
1.1 Reagents: Sulfuric acid Solvents: Methanol , Water ; 2 h, 60 °C
Reference
- Planar Macrocyclic Fluoropentamers as Supramolecular OrganogelatorsRen, Changliang; Xu, Shengyu; Xu, Jun; Chen, Hongyu; Zeng, Huaqiang, Organic Letters, 2011, 13(15), 3840-3843
Production Method 13
Reaction Conditions
1.1 Reagents: Lithium diisopropylamide , Boric acid (H3BO3) Solvents: Tetrahydrofuran ; cooled; 1 h, heated
1.2 -5 °C; 3.5 h, -5 °C → rt; rt → -5 °C
1.3 Reagents: Ammonium chloride Solvents: Water ; -5 °C
1.2 -5 °C; 3.5 h, -5 °C → rt; rt → -5 °C
1.3 Reagents: Ammonium chloride Solvents: Water ; -5 °C
Reference
- Green method for synthesis of key intermediates of tyrosine kinase inhibitor, China, , ,
Production Method 14
Reaction Conditions
1.1 Reagents: Cesium fluoride Solvents: Dimethylformamide ; 1 h, 140 °C
Reference
- Method for producing N-phenyl-3-(benzamido or 3-pyridylcarbonylamino)benzamide derivatives, World Intellectual Property Organization, , ,
Production Method 15
Reaction Conditions
Reference
- Preparation of thiazole sulfonamides and oxazole sulfonamides as antitumor agents, Costa Rica, , ,
Methyl 2-Fluoro-3-nitrobenzoate Raw materials
- 2-Chloro-3-nitro-benzoyl Chloride
- 1-Fluoro-2-nitrobenzene
- 2-Fluoro-3-nitrobenzoic acid
- Methyl 2-chloro-3-nitrobenzoate
Methyl 2-Fluoro-3-nitrobenzoate Preparation Products
Methyl 2-Fluoro-3-nitrobenzoate Suppliers
Suzhou Senfeida Chemical Co., Ltd
Gold Member
(CAS:946126-94-9)methyl 2-fluoro-3-nitrobenzoate
Order Number:sfd18004
Stock Status:in Stock
Quantity:200kg
Purity:99.9%
Pricing Information Last Updated:Friday, 19 July 2024 14:38
Price ($):discuss personally
Email:[email protected]
Methyl 2-Fluoro-3-nitrobenzoate Related Literature
-
Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
-
Gerald J. Meyer,Leif Hammarstr?m Chem. Sci., 2020,11, 3460-3473
-
3. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
-
Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
946126-94-9 (Methyl 2-Fluoro-3-nitrobenzoate) Related Products
- 1154279-29-4(Ethyl 2,5-difluoro-3-nitrobenzoate)
- 1214379-18-6(Ethyl 2-fluoro-3-nitrobenzoate)
- 1154278-08-6(Methyl 2,5-difluoro-3-nitrobenzoate)
- 918321-24-1(Methyl 2,3,4-trifluoro-5-nitrobenzoate)
- 2965-22-2(Methyl 2-fluoro-5-nitrobenzoate)
- 1214367-00-6(Ethyl 2,5-difluoro-4-nitrobenzoate)
- 179011-37-1(ethyl 2,4-difluoro-5-nitro-benzoate)
- 125568-71-0(Methyl 2,4-difluoro-5-nitrobenzoate)
- 924868-81-5(Methyl 2,5-difluoro-4-nitrobenzoate)
- 84832-01-9(Methyl 2,6-difluoro-3-nitrobenzoate)
Recommended suppliers
Suzhou Senfeida Chemical Co., Ltd
(CAS:946126-94-9)methyl 2-fluoro-3-nitrobenzoate
Purity:99.9%
Quantity:200kg
Price ($):Inquiry