| Identification | More | [Name]
2-Methylcinnamic acid | [CAS]
2373-76-4 | [Synonyms]
2-METHYLCINNAMIC ACID
3-(2-METHYLPHENYL)-2-PROPENOIC ACID
3-O-TOLYL-ACRYLIC ACID
METHYLCINNAMIC ACID,2-
RARECHEM BK HC T303
SPECS AI-942/25034752
TIMTEC-BB SBB003946
o-Methylcinnamic acid
trans-2-Methylcinnamic acid
2-METHYLCINNAMIC ACID, 99%, PREDOMINANTL Y TRANS
5-Bromovaniline
2-Methylcinnamicacid,98+%
2-methylcinnamic acid, predominantly trans
2-Methylbenzeneacrylic acid | [EINECS(EC#)]
219-150-5 | [Molecular Formula]
C10H10O2 | [MDL Number]
MFCD00016841 | [Molecular Weight]
162.19 | [MOL File]
2373-76-4.mol |
| Chemical Properties | Back Directory | [Appearance]
White flakes or crystal | [Melting point ]
174-176 °C(lit.) | [Boiling point ]
228.88°C (rough estimate) | [density ]
1.0281 (rough estimate) | [refractive index ]
1.5766 (estimate) | [storage temp. ]
Sealed in dry,Room Temperature | [solubility ]
almost transparency in Methanol | [form ]
powder to crystal | [pka]
4.5(at 25℃) | [color ]
White to Almost white | [BRN ]
2500607 | [InChI]
1S/C10H10O2/c1-8-4-2-3-5-9(8)6-7-10(11)12/h2-7H,1H3,(H,11,12)/b7-6+ | [InChIKey]
RSWBWHPZXKLUEX-VOTSOKGWSA-N | [SMILES]
Cc1ccccc1\C=C\C(O)=O | [LogP]
2.870 (est) | [CAS DataBase Reference]
2373-76-4(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S37/39:Wear suitable gloves and eye/face protection .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing . | [WGK Germany ]
3
| [HazardClass ]
IRRITANT | [HS Code ]
29163990 | [Storage Class]
11 - Combustible Solids |
| Hazard Information | Back Directory | [Chemical Properties]
White flakes or crystal | [Uses]
2-Methylcinnamic acid may be used as starting reagent for the total synthesis of the cytotoxic alkaloid, 22-hydroxyacuminatine and for the preparation of (E)-2-methylcinnamic acid i-butylammonium salt. | [Definition]
ChEBI: 2-Methylcinnamic Acid is a member of cinnamic acids. | [General Description]
2-Methylcinnamic acid has been reported to exhibit strong anti-fungal activity against white-rot fungus Lenzites betulina and brown-rot fungus Laetiporus sulphureus. Hydrogenation of 2-methylcinnamic acid using Walphos ligands and their biferrocene analogs has been studied. | [Synthesis]
GENERAL STEPS: 2-Methylbenzaldehyde (50 g, 417 mmol) was dissolved in pyridine (2 eq., 65 mL) under stirring conditions, followed by the addition of malonic acid (86.6 g, 834 mmol). The reaction mixture was heated to reflux for 4-5 hours. Upon completion of the reaction, the mixture was slowly poured into ice water and then acidified with 1N HCl. The precipitated white solid was collected by filtration, washed with water and dried under high vacuum for 3-4 h to give (E)-3-(o-tolyl)acrylic acid (57 g, 87% yield). | [References]
[1] Patent: US2013/178457, 2013, A1. Location in patent: Paragraph 0173
[2] Patent: WO2013/5168, 2013, A2. Location in patent: Page/Page column 32
[3] Tetrahedron Letters, 2011, vol. 52, # 41, p. 5371 - 5374
[4] Journal of Organic Chemistry, 1986, vol. 51, # 7, p. 1120 - 1123
[5] Patent: WO2013/74892, 2013, A1. Location in patent: Page/Page column 39-40 |
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