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| CAS No.: | 611-64-3 |
|---|---|
| Name: | 9-METHYLACRIDINE |
| Article Data: | 72 |
| Molecular Structure: | |
|
|
|
| Formula: | C14H11N |
| Molecular Weight: | 193.248 |
| Synonyms: | 9-Methylacridine;NSC 1234; |
| EINECS: | 210-272-4 |
| Density: | 1.155g/cm3 |
| Melting Point: | 114-119 °C |
| Boiling Point: | 361.9 °C at 760 mmHg |
| Flash Point: | 160 °C |
| Appearance: | Yellow crystalline powder |
| Hazard Symbols: |
 Xn;  Xi
|
| Risk Codes: | 68-36/37/38 |
| Safety: | 45-36/37/39-26 |
| PSA: | 12.89000 |
| LogP: | 3.69640 |
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- 1433773-40-0
C14H12BrN
- 611-64-3
9-methyl-acridine
| Conditions | Yield |
|---|---|
| With tris-(dibenzylideneacetone)dipalladium(0); lithium tert-butoxide; ruphos In 1,4-dioxane; water at 110℃; for 12h; Inert atmosphere; Microwave irradiation; | 100% |
- 1433772-22-5
N'-(1-(2-aminophenyl)ethylidene)-4-methylbenzenesulfonohydrazide
- 583-53-9
1,2-dibromobenzene
- 611-64-3
9-methyl-acridine
| Conditions | Yield |
|---|---|
| With tris-(dibenzylideneacetone)dipalladium(0); lithium tert-butoxide; ruphos In 1,4-dioxane; water at 110℃; for 12h; Reagent/catalyst; Temperature; Microwave irradiation; Inert atmosphere; | 98% |
| Conditions | Yield |
|---|---|
| With iodine; hypophosphorous acid In acetic acid for 24h; Heating; | A 92% B 8% |
| Conditions | Yield |
|---|---|
| With copper(l) iodide In 1,2-dichloro-ethane at 65℃; for 12h; Reagent/catalyst; Temperature; Solvent; Friedel-Crafts Alkylation; Inert atmosphere; Sealed tube; | 92% |
| With copper(l) iodide In 1,2-dichloro-ethane at 65℃; Temperature; Reagent/catalyst; Sealed tube; Inert atmosphere; | 92% |
- 615-42-9
1,2-Diiodobenzene
- 1433772-22-5
N'-(1-(2-aminophenyl)ethylidene)-4-methylbenzenesulfonohydrazide
- 611-64-3
9-methyl-acridine
| Conditions | Yield |
|---|---|
| With tris-(dibenzylideneacetone)dipalladium(0); lithium tert-butoxide; ruphos In 1,4-dioxane; water at 110℃; for 12h; Microwave irradiation; Inert atmosphere; | 90% |
| Conditions | Yield |
|---|---|
| With tris(acetonitrile)(η5-pentamethylcyclopentadienyl)rhodium(III) hexafluoroantimonate; acetic anhydride In 1,2-dichloro-ethane at 110℃; for 20h; Inert atmosphere; | 87% |
| Conditions | Yield |
|---|---|
| With copper(II) bis(trifluoromethanesulfonate) In 1,1,2,2-tetrachloroethane at 100℃; for 14h; Sealed tube; | 86% |
| Stage #1: 2-aminoacetophenone; phenylboronic acid With copper diacetate In 2,2,2-trifluoroethanol at 20℃; for 12h; Stage #2: With t-butyl bromide In 2,2,2-trifluoroethanol at 20℃; for 24h; | 85% |
| Conditions | Yield |
|---|---|
| With 2,2-dimethoxy-propane; zinc(II) chloride In neat (no solvent) at 100℃; for 0.133333h; Bernthsen Acridine Synthesis; Microwave irradiation; Green chemistry; | 84% |
| With zinc(II) chloride at 220℃; for 17h; | 81% |
| With zinc(II) chloride at 220℃; for 17h; | 81% |
- 611-64-3
9-methyl-acridine
| Conditions | Yield |
|---|---|
| With sodium acetate In ethanol for 2h; Heating; | 77% |
- 1246225-46-6
2-chloro-N-(2-vinylphenyl)aniline
- 611-64-3
9-methyl-acridine
| Conditions | Yield |
|---|---|
| With tris-(dibenzylideneacetone)dipalladium(0); sodium t-butanolate; tri tert-butylphosphoniumtetrafluoroborate In toluene at 100℃; for 24h; Inert atmosphere; | 77% |
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Specification
The Acridine, 9-methyl-, with CAS registry number 611-64-3, has the systematic name of 9-methylacridine. This chemical is a kind of yellow crystalline powder. And its classification code is Drug / Therapeutic Agent. And the chemical formula of this chemical is C14H11N. What's more, its EINECS is 210-272-4.
Physical properties of Acridine, 9-methyl-: (1)ACD/LogP: 3.86; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.87; (4)ACD/LogD (pH 7.4): 3.81; (5)ACD/BCF (pH 5.5): 51.66; (6)ACD/BCF (pH 7.4): 453.82; (7)ACD/KOC (pH 5.5): 306.46; (8)ACD/KOC (pH 7.4): 2692.22; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 12.89 Å2; (13)Index of Refraction: 1.703; (14)Molar Refractivity: 64.85 cm3; (15)Molar Volume: 167.1 cm3; (16)Polarizability: 25.71×10-24cm3; (17)Surface Tension: 51 dyne/cm; (18)Density: 1.155 g/cm3; (19)Flash Point: 160 °C; (20)Enthalpy of Vaporization: 58.38 kJ/mol; (21)Boiling Point: 361.9 °C at 760 mmHg; (22)Vapour Pressure: 4.19E-05 mmHg at 25°C.
Preparation: this chemical can be prepared by acetic acid and diphenylamine. This reaction will need reagent ZnCl2. The reaction time is 17 hour(s) with reaction temperature of 170 ℃. The yield is about 26.5%.
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Uses of Acridine, 9-methyl-: it can be used to produce acridine-9-carbaldehyde. This reaction will need reagents acetic acid, selenium dioxide.
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When you are using this chemical, please be cautious about it as the following:
The Acridine, 9-methyl- irritates to eyes, respiratory system and skin. And this chemical has possible risk of irreversible effects. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
You can still convert the following datas into molecular structure:
(1)SMILES: n1c3c(c(c2c1cccc2)C)cccc3
(2)InChI: InChI=1/C14H11N/c1-10-11-6-2-4-8-13(11)15-14-9-5-3-7-12(10)14/h2-9H,1H3
(3)InChIKey: FLDRLXJNISEWNZ-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C14H11N/c1-10-11-6-2-4-8-13(11)15-14-9-5-3-7-12(10)14/h2-9H,1H3
(5)Std. InChIKey: FLDRLXJNISEWNZ-UHFFFAOYSA-N
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | subcutaneous | 210mg/kg (210mg/kg) | British Journal of Experimental Pathology. Vol. 28, Pg. 1, 1947. |