1H-1,2,4-Triazole-3-carboxylic acid, 5-bromo-, methyl ester
Uses- Product Name
- 1H-1,2,4-Triazole-3-carboxylic acid, 5-bromo-, methyl ester
- CAS No.
- 704911-47-7
- Chemical Name
- 1H-1,2,4-Triazole-3-carboxylic acid, 5-bromo-, methyl ester
- Synonyms
- Methyl 5-BroMo-1,2,4-triazole-3-carboxylate;Methyl 5-broMo-4H-[1,2,4]triazole-3-carboxylate;5-Bromo-1,2,4-triazol-3-carboxylic acid methyl ester;5-Bromo-1H-1,2,4-triazole-3-carboxylic acid methyl ester;1H-1,2,4-Triazole-3-carboxylic acid, 5-bromo-, methyl ester;methyl 3-bromo-1H-1,2,4-triazole-5-carboxylate(SALTDATA: FREE);methyl 5-bromo-1H-1,2,4-triazole-3-carboxylate, methyl 5-bromo-1,2,4-triazole-3-carboxylate
- CBNumber
- CB21509193
- Molecular Formula
- C4H4BrN3O2
- Formula Weight
- 206
- MOL File
- 704911-47-7.mol
1H-1,2,4-Triazole-3-carboxylic acid, 5-bromo-, methyl ester Property
- Boiling point:
- 352.1±25.0 °C(Predicted)
- Density
- 1.902±0.06 g/cm3(Predicted)
- storage temp.
- under inert gas (nitrogen or Argon) at 2-8°C
- pka
- 5.62±0.40(Predicted)
- Appearance
- White to light yellow Solid
- InChI
- InChI=1S/C4H4BrN3O2/c1-10-3(9)2-6-4(5)8-7-2/h1H3,(H,6,7,8)
- InChIKey
- GRIBRWPXKUMRDX-UHFFFAOYSA-N
- SMILES
- N1C(Br)=NC(C(OC)=O)=N1
Safety
- HazardClass
- IRRITANT
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Warning
- Hazard statements
-
H226Flammable liquid and vapour
- Precautionary statements
-
P210Keep away from heat/sparks/open flames/hot surfaces. — No smoking.
P233Keep container tightly closed.
P240Ground/bond container and receiving equipment.
P241Use explosion-proof electrical/ventilating/lighting/…/equipment.
P242Use only non-sparking tools.
P243Take precautionary measures against static discharge.
P280Wear protective gloves/protective clothing/eye protection/face protection.
P303+P361+P353IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.
P370+P378In case of fire: Use … for extinction.
P403+P235Store in a well-ventilated place. Keep cool.
P501Dispose of contents/container to..…
N-Bromosuccinimide Price
- Product number
- M295988
- Product name
- Methyl5-bromo-4h-[1,2,4]triazole-3-carboxylate
- Packaging
- 1g
- Price
- $230
- Updated
- 2021/12/16
- Product number
- 063015
- Product name
- Methyl 3-bromo-1H-1,2,4-triazole-5-carboxylate
- Packaging
- 1g
- Price
- $288
- Updated
- 2021/12/16
- Product number
- AK-32278
- Product name
- Methyl5-bromo-1H-1,2,4-triazole-3-carboxylate
- Purity
- 97%
- Packaging
- 100mg
- Price
- $30
- Updated
- 2021/12/16
- Product number
- W7993
- Product name
- Methyl5-bromo-4H-[1,2,4]triazole-3-carboxylate
- Packaging
- 1g
- Price
- $114
- Updated
- 2021/12/16
- Product number
- 063015
- Product name
- Methyl 3-bromo-1H-1,2,4-triazole-5-carboxylate
- Packaging
- 500mg
- Price
- $189
- Updated
- 2021/12/16
1H-1,2,4-Triazole-3-carboxylic acid, 5-bromo-, methyl ester Chemical Properties,Usage,Production
Uses
5-Bromo-4H-[1,2,4]thiazole-3-carboxylic acid methyl ester is used in laboratory research and development and chemical and pharmaceutical synthesis processes.
Synthesis
3641-14-3
704911-47-7
Step 1: Synthesis of methyl 5-bromo-1H-1,2,4-triazole-3-carboxylate (306a) Methyl 5-bromo-1H-1,2,4-triazole-3-carboxylate (6.5 g, 45 mmol) was suspended in a mixed solution of sulfuric acid (6 mL) and water (100 mL). An aqueous solution of sodium nitrite (6.4 g, 67 mmol) was slowly added to the suspension at -3 °C. After 30 min of reaction, an aqueous solution of freshly prepared copper bromide (4.2 g, 21 mmol) and potassium bromide (13.0 g, 91 mmol) was added dropwise at the same temperature. The reaction mixture was stirred at 25 °C for 3 hours. After completion of the reaction, the mixture was extracted with ethyl acetate. The crude product was purified by column chromatography (dichloromethane/methanol=20/1) to give compound 306a (5.5 g, 58% yield) as a white solid.
References
[1] Tetrahedron Letters, 2007, vol. 48, # 13, p. 2389 - 2393
[2] Patent: WO2014/23367, 2014, A1. Location in patent: Page/Page column 127
1H-1,2,4-Triazole-3-carboxylic acid, 5-bromo-, methyl ester Preparation Products And Raw materials
Raw materials
Preparation Products
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View Lastest Price from 1H-1,2,4-Triazole-3-carboxylic acid, 5-bromo-, methyl ester manufacturers
- Product
- 1H-1,2,4-Triazole-3-carboxylic acid, 5-bromo-, methyl ester 704911-47-7
- Price
- US $5.50/KG
- Min. Order
- 1IU
- Purity
- 98%min
- Supply Ability
- 1kg-100kg
- Release date
- 2020-01-14