- Preparation of 5-alkynyl-pyrimidines as kinase inhibitors, World Intellectual Property Organization, , ,
Cas no 957207-58-8 (Methyl 4-bromo-2-(trifluoromethyl)benzoate)
957207-58-8 structure
Product Name:Methyl 4-bromo-2-(trifluoromethyl)benzoate
CAS No:957207-58-8
MF:C9H6BrF3O2
MW:283.041952610016
MDL:MFCD12761599
CID:1039588
PubChem ID:46311087
Update Time:2024-10-25
Methyl 4-bromo-2-(trifluoromethyl)benzoate Chemical and Physical Properties
Names and Identifiers
-
- Methyl 4-bromo-2-(trifluoromethyl)benzoate
- 4-Bromo-2-(trifluoromethyl)benzoic acid methyl ester
- Methyl4-bromo-2-(trifluoromethyl)benzoate
- AMBZ0345
- PFBLWQAOLPCMIJ-UHFFFAOYSA-N
- AM804615
- AK104633
- ST2407244
- Z1198
- 4-bromo-2-trifluoromethylbenzoic acid methyl ester
- Z1602230687
- MFCD12761599
- SCHEMBL516822
- CS-W022845
- DS-4265
- EN300-193420
- DTXSID20673199
- Z1509475303
- 957207-58-8
- Methyl-4-Bromo-2-(trifluoromethyl)benzoate
- AKOS016008004
-
- MDL: MFCD12761599
- Inchi: 1S/C9H6BrF3O2/c1-15-8(14)6-3-2-5(10)4-7(6)9(11,12)13/h2-4H,1H3
- InChI Key: PFBLWQAOLPCMIJ-UHFFFAOYSA-N
- SMILES: O=C(C1C(C(F)(F)F)=CC(Br)=CC=1)OC
Computed Properties
- Exact Mass: 281.95
- Monoisotopic Mass: 281.95
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 242
- 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
- Topological Polar Surface Area: 26.3
- XLogP3: 3.4
Experimental Properties
- Density: 1.598±0.06 g/cm3 (20 oC 760 Torr),
- Boiling Point: 274.2±40.0 oC (760 Torr),
- Flash Point: 119.6±27.3 oC,
- Refractive Index: 1.484
- Solubility: Very slightly soluble (0.22 g/l) (25 o C),
Methyl 4-bromo-2-(trifluoromethyl)benzoate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Chemenu | CM155608-5g |
methyl 4-bromo-2-(trifluoromethyl)benzoate |
957207-58-8 | 95+% | 5g |
$252 | 2021-06-17 | |
| TRC | M293850-250mg |
Methyl 4-Bromo-2-(trifluoromethyl)benzoate |
957207-58-8 | 250mg |
$64.00 | 2023-05-18 | ||
| TRC | M293850-500mg |
Methyl 4-Bromo-2-(trifluoromethyl)benzoate |
957207-58-8 | 500mg |
$87.00 | 2023-05-18 | ||
| TRC | M293850-2.5g |
Methyl 4-Bromo-2-(trifluoromethyl)benzoate |
957207-58-8 | 2.5g |
$ 210.00 | 2022-06-04 | ||
| SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd. | M899426-250mg |
Methyl 4-bromo-2-(trifluoromethyl)benzoate |
957207-58-8 | 98% | 250mg |
¥221.40 | 2022-01-13 | |
| SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd. | M899426-1g |
Methyl 4-bromo-2-(trifluoromethyl)benzoate |
957207-58-8 | 98% | 1g |
¥395.10 | 2022-01-13 | |
| Chemenu | CM155608-5g |
methyl 4-bromo-2-(trifluoromethyl)benzoate |
957207-58-8 | 95+% | 5g |
$72 | 2022-12-31 | |
| Apollo Scientific | PC500545-1g |
Methyl 4-bromo-2-(trifluoromethyl)benzoate |
957207-58-8 | 1g |
£15.00 | 2025-02-21 | ||
| Apollo Scientific | PC500545-5g |
Methyl 4-bromo-2-(trifluoromethyl)benzoate |
957207-58-8 | 5g |
£28.00 | 2025-02-21 | ||
| Apollo Scientific | PC500545-25g |
Methyl 4-bromo-2-(trifluoromethyl)benzoate |
957207-58-8 | 25g |
£88.00 | 2025-02-21 |
Methyl 4-bromo-2-(trifluoromethyl)benzoate Production Method
Production Method 1
Reaction Conditions
1.1 Reagents: Hydrochloric acid Solvents: Methanol ; overnight, reflux
Reference
Production Method 2
Reaction Conditions
1.1 Reagents: Thionyl chloride Solvents: Methanol ; rt; 12 h, 60 °C
Reference
- 3-(Pyridin-3-yl)acrylamide and N-(pyridin-3-yl)acrylamide derivatives as PAK and NAMPT modulators and their preparation, World Intellectual Property Organization, , ,
Production Method 3
Reaction Conditions
1.1 Reagents: Sodium hydroxide Solvents: Ethanol , Water ; 6 h, reflux
1.2 Reagents: Hydrochloric acid Solvents: Water ; acidified
1.3 Solvents: Diethyl ether
1.2 Reagents: Hydrochloric acid Solvents: Water ; acidified
1.3 Solvents: Diethyl ether
Reference
- Silver-Catalyzed C-H Trifluoromethylation of Arenes Using Trifluoroacetic Acid as the Trifluoromethylating ReagentShi, Guangfa; Shao, Changdong; Pan, Shulei; Yu, Jingxun; Zhang, Yanghui, Organic Letters, 2015, 17(1), 38-41
Production Method 4
Reaction Conditions
1.1 Reagents: Thionyl chloride ; 0 °C; 18 h, reflux
Reference
- Preparation of 2-substituted 4,5-dihydroxyisophthalonitriles and their analogs as inhibitors of catechol-O-methyltransferase for the treatment of Parkinson's disease, World Intellectual Property Organization, , ,
Production Method 5
Reaction Conditions
1.1 Reagents: tert-Butyl nitrite , Copper bromide (CuBr) Solvents: Acetonitrile ; 1.5 h, reflux
Reference
- Preparation of heteroarylamide derivatives as immunosuppressants with S1P agonist activity, Japan, , ,
Production Method 6
Reaction Conditions
1.1 Catalysts: Tris(2,2′-bipyridine)ruthenium(2+) bis(hexafluorophosphate) Solvents: Acetonitrile ; 12 h, 35 °C
Reference
- Visible-Light Photoredox Decarboxylation of Perfluoroarene Iodine(III) Trifluoroacetates for C-H Trifluoromethylation of (Hetero)arenesYang, Bin; Yu, Donghai; Xu, Xiu-Hua; Qing, Feng-Ling, ACS Catalysis, 2018, 8(4), 2839-2843
Methyl 4-bromo-2-(trifluoromethyl)benzoate Raw materials
- Bis(trifluoroacetoxy)iodopentafluorobenzene
- 4-BROMO-2-(TRIFLUOROMETHYL)BENZONITRILE
- Methyl 4-amino-2-(trifluoromethyl)benzoate
- 4-Bromo-2-(trifluoromethyl)benzoic acid
- 4-Bromobenzoic Acid Methyl Ester
Methyl 4-bromo-2-(trifluoromethyl)benzoate Preparation Products
Methyl 4-bromo-2-(trifluoromethyl)benzoate Related Literature
-
J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
-
Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
-
Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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5. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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