Basic Information | Post buying leads | Suppliers |
Name |
1H-Indole-2-carboxylicacid, 4,6-dimethoxy-, methyl ester |
EINECS | N/A |
CAS No. | 105776-13-4 | Density | 1.252 g/cm3 |
PSA | 60.55000 | LogP | 1.97170 |
Solubility | N/A | Melting Point |
182-183 °C(lit.) |
Formula | C12H13NO4 | Boiling Point | 410.9 °C at 760 mmHg |
Molecular Weight | 235.24 | Flash Point | 202.3 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Methyl4,6-dimethoxy-1H-indole-2-carboxylate;Methyl 4,6-dimethoxy-2-indolecarboxylate; |
This chemical is called 1H-Indole-2-carboxylicacid, 4,6-dimethoxy-, methyl ester, and its systematic name is methyl 4,6-dimethoxy-1H-indole-2-carboxylate. With the molecular formula of C12H13NO4, its product categories are Indoline & Oxindole; Building Blocks; Heterocyclic Building Blocks; Indoles. The CAS registry number of this chemical is 105776-13-4. Additionally, this chemical should be sealed in the cool and dry place, away from oxides.
Other characteristics of the 1H-Indole-2-carboxylicacid, 4,6-dimethoxy-, methyl ester can be summarised as followings: (1)ACD/LogP: 2.12; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.12; (4)ACD/LogD (pH 7.4): 2.12; (5)ACD/BCF (pH 5.5): 24.1; (6)ACD/BCF (pH 7.4): 24.1; (7)ACD/KOC (pH 5.5): 339.54; (8)ACD/KOC (pH 7.4): 339.54; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 49.69 Å2; (13)Index of Refraction: 1.593; (14)Molar Refractivity: 63.65 cm3; (15)Molar Volume: 187.7 cm3; (16)Polarizability: 25.23×10-24cm3; (17)Surface Tension: 45.9 dyne/cm; (18)Density: 1.252 g/cm3; (19)Flash Point: 202.3 °C; (20)Enthalpy of Vaporization: 66.32 kJ/mol; (21)Boiling Point: 410.9 °C at 760 mmHg; (22)Vapour Pressure: 5.83E-07 mmHg at 25°C.
Production method of this chemical: The 1H-Indole-2-carboxylicacid, 4,6-dimethoxy-, methyl ester could be obtained by the reactant of methyl-2-azido-3-(2,4-dimethoxyphenyl) propenoate. This reaction needs the solvent xylene. The yield is 92.4 %. In addition, this reaction should be taken for 2.5 hours. The other condition is heating.
You can still convert the following datas into molecular structure:
1.SMILES: O=C(OC)c2cc1c(cc(OC)cc1OC)n2
2.InChI: InChI=1/C12H13NO4/c1-15-7-4-9-8(11(5-7)16-2)6-10(13-9)12(14)17-3/h4-6,13H,1-3H3
3.InChIKey: TVUJONIYWNBWPM-UHFFFAOYAG