Name: 2,3-NAPHTHALENEDICARBOXYLIC ACID DIMETHYL ESTER
SKU: 13728-34-2

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Basic Information

Molecular Structure:
CAS No.:	13728-34-2
Name:	2,3-NAPHTHALENEDICARBOXYLIC ACID DIMETHYL ESTER
Article Data:	27

Formula:	C₁₄H₁₂O₄
Molecular Weight:	244.247
Synonyms:	2,3-Naphthalenedicarboxylicacid, dimethyl ester (6CI,7CI,8CI,9CI);2,3-Bis(methoxycarbonyl)naphthalene;Dimethyl 2,3-naphthalenedicarboxylate;
Density:	1.225 g/cm³
Melting Point:	52-54 °C(lit.)
Boiling Point:	345.9 °C at 760 mmHg
Flash Point:	170.8 °C
Safety:	24/25
PSA:	52.60000
LogP:	2.41300

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Specification

The 2,3-Naphthalenedicarboxylic acid dimethyl ester is an organic compound with the formula C₁₄H₁₂O₄. The systematic name of this chemical is dimethyl naphthalene-2,3-dicarboxylate. With the CAS registry number 13728-34-2, it is also named as 2,3-Naphthalenedicarboxylicacid, 2,3-dimethyl ester. In addition, the molecular weight is 244.24.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 2.87; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 52.6 Å²; (7)Index of Refraction: 1.594; (8)Molar Refractivity: 67.64 cm³; (9)Molar Volume: 199.3 cm³; (10)Polarizability: 26.81×10^-24 cm³; (11)Surface Tension: 46.5 dyne/cm; (12)Density: 1.225 g/cm³; (13)Flash Point: 170.8 °C; (14)Enthalpy of Vaporization: 59 kJ/mol; (15)Boiling Point: 345.9 °C at 760 mmHg; (16)Vapour Pressure: 5.98E-05 mmHg at 25°C.

Preparation of 2,3-Naphthalenedicarboxylic acid dimethyl ester: It can be obtained by methanol and naphthalene-2,3-dicarboxylic acid. This reaction needs heating and the yield is 45%.

Uses of 2,3-Naphthalenedicarboxylic acid dimethyl ester: It can react with phenylacetic acid methyl ester to get 2-Phenylbenz[5,6]indan-1,3-dion. This reaction needs reagent Na and solvent ethanol at temperature of 90-95 °C. The reaction time is 8 hours. The yield is 70%.

People can use the following data to convert to the molecule structure.
1. SMILES:O=C(OC)c2cc1c(cccc1)cc2C(=O)OC
2. InChI:InChI=1/C14H12O4/c1-17-13(15)11-7-9-5-3-4-6-10(9)8-12(11)14(16)18-2/h3-8H,1-2H3
3. InChIKey:MPDGBCOIHNLQMR-UHFFFAOYAQ