Methyl 3-bromo-5-nitrobenzoate
- Product Name
- Methyl 3-bromo-5-nitrobenzoate
- CAS No.
- 6307-87-5
- Chemical Name
- Methyl 3-bromo-5-nitrobenzoate
- Synonyms
- DK89898D;Methyl 3-bromo-5-nitrobenzoate;3-Bromo-5-nitro-benzoic acid met;Methyl3-bromo-5-nitrobenzoate98%;Methyl 3-bromo-5-nitrobenzoate 98%;3-Bromo-5-nitro-benzoic acid methyl ester;Benzoic acid, 3-bromo-5-nitro-, methyl ester
- CBNumber
- CB4957694
- Molecular Formula
- C8H6BrNO4
- Formula Weight
- 260.04
- MOL File
- 6307-87-5.mol
Methyl 3-bromo-5-nitrobenzoate Property
- Melting point:
- 70 °C(Solv: ethanol (64-17-5))
- Boiling point:
- 326.0±22.0 °C(Predicted)
- Density
- 1.673±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- form
- solid
- color
- Off-white to light brown
- InChI
- InChI=1S/C8H6BrNO4/c1-14-8(11)5-2-6(9)4-7(3-5)10(12)13/h2-4H,1H3
- InChIKey
- DDJCZBFPZLYREP-UHFFFAOYSA-N
- SMILES
- C(OC)(=O)C1=CC([N+]([O-])=O)=CC(Br)=C1
Safety
- Hazard Codes
- Xi
- Hazard Note
- Irritant
- HS Code
- 2916399090
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Warning
- Hazard statements
-
H315Causes skin irritation
H319Causes serious eye irritation
H335May cause respiratory irritation
- Precautionary statements
-
P261Avoid breathing dust/fume/gas/mist/vapours/spray.
P271Use only outdoors or in a well-ventilated area.
P280Wear protective gloves/protective clothing/eye protection/face protection.
N-Bromosuccinimide Price
- Product number
- M296003
- Product name
- Methyl3-bromo-5-nitrobenzoate
- Packaging
- 1g
- Price
- $75
- Updated
- 2021/12/16
- Product number
- 4654-9-Z1
- Product name
- Methyl 3-bromo-5-nitrobenzoate
- Purity
- 98%
- Packaging
- 1g
- Price
- $16
- Updated
- 2021/12/16
- Product number
- 4654-9-Z1
- Product name
- Methyl 3-bromo-5-nitrobenzoate
- Purity
- 98%
- Packaging
- 5G
- Price
- $42
- Updated
- 2021/12/16
- Product number
- CS-W003593
- Product name
- 3-Bromo-5-nitro-benzoicacidmethylester
- Purity
- 98.53%
- Packaging
- 10g
- Price
- $52
- Updated
- 2021/12/16
- Product number
- 144413
- Product name
- Methyl 3-bromo-5-nitrobenzoate
- Purity
- 95%
- Packaging
- 5g
- Price
- $88
- Updated
- 2021/12/16
Methyl 3-bromo-5-nitrobenzoate Chemical Properties,Usage,Production
Uses
Methyl 3-bromo-5-nitrobenzoate is a pharmaceutical intermediate. Methyl 3-bromo-5-nitrobenzoate can be used to prepare 3-amidobenzoic acid derivatives such as 3-(4-trifluoromethylbenzoyl)amino-5-(2',6'-(2H)piperidinylphenyl)benzoic acid, which have P2Y receptor antagonist effects.
Synthesis
The preparation method is achieved through a two-step reaction: first, at 0°C, 3-nitrobenzoic acid is dissolved in concentrated sulfuric acid, N-bromosuccinimide is added, the reaction is carried out at 65°C for 2 hours, and 3-nitro-5-bromobenzoic acid is obtained after stirring with ice water, suction filtration, and drying, with a yield of 95%. Next, the product is dissolved in methanol, SOCl₂ is added dropwise at 0°C, the reaction is carried out at room temperature for 2 hours, and Methyl 3-bromo-5-nitrobenzoate is finally obtained after treatment with a sodium bicarbonate solution, extraction with ethyl acetate, drying, and column chromatography purification, with a yield of 86.46%.
References
[1] Chemistry - A European Journal, 2006, vol. 12, # 18, p. 4764 - 4774
[2] Journal of the American Chemical Society, 2013, vol. 135, # 46, p. 17408 - 17416
[3] Patent: WO2014/19685, 2014, A1. Location in patent: Page/Page column 13; 39
[4] Journal of Molecular Structure, 2013, vol. 1036, p. 505 - 509
[5] Collection of Czechoslovak Chemical Communications, 1973, vol. 38, p. 3496 - 3505
Methyl 3-bromo-5-nitrobenzoate Preparation Products And Raw materials
Raw materials
Preparation Products
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View Lastest Price from Methyl 3-bromo-5-nitrobenzoate manufacturers
- Product
- Methyl 3-bromo-5-nitrobenzoate 6307-87-5
- Price
- US $3.00-0.20/KG
- Min. Order
- 1KG
- Purity
- 98%
- Supply Ability
- g-kg-tons, free sample is available
- Release date
- 2024-03-26
- Product
- Methyl 3-bromo-5-nitrobenzoate 6307-87-5
- Price
- US $200.00/KG
- Min. Order
- 1KG
- Purity
- 98%
- Supply Ability
- 100KG
- Release date
- 2018-08-15