5-methyl-2-(pyrimidin-2-yl)benzoic acid
- Product Name
- 5-methyl-2-(pyrimidin-2-yl)benzoic acid
- CAS No.
- 1088994-22-2
- Chemical Name
- 5-methyl-2-(pyrimidin-2-yl)benzoic acid
- Synonyms
- 5-Methyl-2-(2-pyrimidyl)benzoic Acid;5-Methyl-2-(2-pyrimidinyl)benzoic acid;5-methyl-2-(pyrimidin-2-yl)benzoic acid;Benzoic acid, 5-methyl-2-(2-pyrimidinyl)-
- CBNumber
- CB02474717
- Molecular Formula
- C12H10N2O2
- Formula Weight
- 214.22
- MOL File
- 1088994-22-2.mol
5-methyl-2-(pyrimidin-2-yl)benzoic acid Property
- Boiling point:
- 316℃
- Density
- 1.260
- Flash point:
- 145℃
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 3.70±0.36(Predicted)
- Appearance
- White to off-white Solid
- InChI
- InChI=1S/C12H10N2O2/c1-8-3-4-9(10(7-8)12(15)16)11-13-5-2-6-14-11/h2-7H,1H3,(H,15,16)
- InChIKey
- WKBKHXGASBZRMI-UHFFFAOYSA-N
- SMILES
- C(O)(=O)C1=CC(C)=CC=C1C1=NC=CC=N1
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Danger
- Hazard statements
-
H225Highly Flammable liquid and vapour
H315Causes skin irritation
H319Causes serious eye irritation
H335May cause respiratory irritation
- Precautionary statements
-
P210Keep away from heat/sparks/open flames/hot surfaces. — No smoking.
P240Ground/bond container and receiving equipment.
P241Use explosion-proof electrical/ventilating/lighting/…/equipment.
P242Use only non-sparking tools.
P243Take precautionary measures against static discharge.
P261Avoid breathing dust/fume/gas/mist/vapours/spray.
P264Wash hands thoroughly after handling.
P264Wash skin thouroughly after handling.
P271Use only outdoors or in a well-ventilated area.
P280Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352IF ON SKIN: wash with plenty of soap and water.
P303+P361+P353IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.
P304+P340IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.
P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
P312Call a POISON CENTER or doctor/physician if you feel unwell.
P332+P313IF SKIN irritation occurs: Get medical advice/attention.
P337+P313IF eye irritation persists: Get medical advice/attention.
P362Take off contaminated clothing and wash before reuse.
P370+P378In case of fire: Use … for extinction.
P403+P233Store in a well-ventilated place. Keep container tightly closed.
P403+P235Store in a well-ventilated place. Keep cool.
P405Store locked up.
P501Dispose of contents/container to..…
N-Bromosuccinimide Price
- Product number
- M321623
- Product name
- 5-Methyl-2-(pyrimidin-2-yl)benzoicAcid
- Packaging
- 500mg
- Price
- $155
- Updated
- 2021/12/16
- Product number
- Y6603
- Product name
- 5-Methyl-2-(pyrimidin-2-yl)benzoicacid
- Packaging
- 5g
- Price
- $623
- Updated
- 2021/12/16
- Product number
- 126630
- Product name
- 5-Methyl-2-(pyrimidin-2-yl)benzoicacid
- Purity
- >95%
- Packaging
- 5g
- Price
- $972
- Updated
- 2021/12/16
- Product number
- CS-W003870
- Product name
- 5-Methyl-2-(pyrimidin-2-yl)benzoicacid
- Packaging
- 25g
- Price
- $991
- Updated
- 2021/12/16
- Product number
- CS-W003870
- Product name
- 5-Methyl-2-(pyrimidin-2-yl)benzoicacid
- Packaging
- 1g
- Price
- $86
- Updated
- 2021/12/16
5-methyl-2-(pyrimidin-2-yl)benzoic acid Chemical Properties,Usage,Production
Synthesis
1088994-20-0
1088994-22-2
General procedure for the synthesis of 5-methyl-2-pyrimidin-2`-ylbenzoic acid from methyl 5-methyl-2-(pyrimidin-2-yl)benzoate: a solution of methyl 5-methyl-2-(pyrimidin-2-yl)benzoate from the previous step was added through an in-line filter to a pre-cleaned 100 L reaction flask, concentrated and the solvent replaced with 2-methyltetrahydrofuran (~15 L). To this solution, water (20 L) and 10 N sodium hydroxide solution (2.60 L, 26.0 mol) were added sequentially. After the addition was completed, the reaction solution turned red, and the reaction temperature was set to 72°C and maintained for 1.5 h. The reaction was confirmed to be complete by HPLC analysis. After completion of the reaction, the mixture was cooled and transferred to a 50 L extractor. The reaction flask was rinsed with 4 L of water and 10 L of methyl tertiary butyl ether (MTBE) and the rinse solution was added to the mixture in the extractor. The layers were separated and the aqueous phase was washed twice with 10L MTBE. Subsequently, the aqueous layer was reintroduced through an in-line filter into a 100 L reactor for acidification. Under cooling conditions, 2.3 L of 12N hydrochloric acid was slowly added and an exothermic phenomenon was observed, with a temperature increase of 7 to 10°C, at which point a beige precipitate (pH=1) appeared. The precipitate was collected by filtration and the filter cake was washed sequentially with cold water (3 mL/g) twice, a cold 15% MTBE/heptane and 15% toluene/heptane mixture (3 mL/g), and finally with room temperature MTBE (1.5 mL/g) and heptane (3 mL/g, twice). The resulting solid was dried under a stream of nitrogen for two days to give 5-methyl-2-pyrimidin-2`-ylbenzoic acid (E-4) as a light beige powder (2.15 kg, 10.04 mol, 97% yield).HPLC analysis showed the product to be 99.2% pure. Heavy metal analysis showed 264 ppm of palladium and 19.7 ppm of iron.The NMR hydrogen spectrum (500 MHz, DMSO-d6) data of E-4 were as follows: δ 12.65 (s, 1H); 8.85-8.82 (m, 2H); 7.78 (dd, J=7.89,2.34Hz, 1H); 7.49-7.37 (m, 3H); 2.40 (m, 3H); 2.40 (m, 3H); 2.40 (m, 3H). 3H); 2.40 (s, 3H).
References
[1] Organic Process Research and Development, 2013, vol. 17, # 1, p. 61 - 68
[2] Patent: WO2008/147518, 2008, A1. Location in patent: Page/Page column 43; 45-46
[3] Patent: WO2009/143033, 2009, A1. Location in patent: Page/Page column 30-31
[4] Patent: CN105461699, 2016, A. Location in patent: Paragraph 0754; 0755; 0756; 0757; 0758; 0759
[5] Patent: WO2015/83094, 2015, A1. Location in patent: Page/Page column 19
5-methyl-2-(pyrimidin-2-yl)benzoic acid Preparation Products And Raw materials
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View Lastest Price from 5-methyl-2-(pyrimidin-2-yl)benzoic acid manufacturers
- Product
- 5-methyl-2-(pyrimidin-2-yl)benzoic acid 1088994-22-2
- Price
- US $0.00-0.00/kg
- Min. Order
- 1kg
- Purity
- 98%
- Supply Ability
- 1Ton
- Release date
- 2022-09-26
- Product
- 5-methyl-2-(pyrimidin-2-yl)benzoic acid 1088994-22-2
- Price
- US $1.00/g
- Min. Order
- 100g
- Purity
- 99%
- Supply Ability
- G/KG/T
- Release date
- 2019-12-20