CAS No.105776-13-4,METHYL 4,6-DIMETHOXY-2-INDOLECARBOXYLATE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	105776-13-4
Name:	METHYL 4,6-DIMETHOXY-2-INDOLECARBOXYLATE

Formula:	C₁₂H₁₃NO₄
Molecular Weight:	235.24
Synonyms:	Methyl4,6-dimethoxy-1H-indole-2-carboxylate;Methyl 4,6-dimethoxy-2-indolecarboxylate;
Density:	1.252 g/cm³
Melting Point:	182-183 °C(lit.)
Boiling Point:	410.9 °C at 760 mmHg
Flash Point:	202.3 °C
PSA:	60.55000
LogP:	1.97170

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Specification

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.

1H-Indole-2-carboxylicacid, 4,6-dimethoxy-, methyl ester

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