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| CAS No.: | 840-65-3 |
|---|---|
| Name: | DIMETHYL 2,6-NAPHTHALENEDICARBOXYLATE |
| Article Data: | 19 |
| Molecular Structure: | |
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| Formula: | C14H12O4 |
| Molecular Weight: | 244.247 |
| Synonyms: | Dimethyl2,6-naphthalenedicarboxylate;NSC 59387;2,6-Naphthalenedicarboxylicacid, dimethyl ester (6CI,7CI,8CI,9CI);2,6-Dicarbomethoxynaphthalene;2,6-Naphthalic acid dimethyl ester;Dimethyl 2,6-naphthalate;dimethyl naphthalene-2,6-dicarboxylate;2,6-Naphthalenedicarboxylic acid, dimethyl ester; |
| EINECS: | 212-661-4 |
| Density: | 1.225 g/cm3 |
| Melting Point: | 187-193 °C(lit.) |
| Boiling Point: | 375.3 °C at 760 mmHg |
| Flash Point: | 189.2 °C |
| Solubility: | Soluble in hot toluene (very faint turbidity). Insoluble in water. |
| Safety: | 22-24/25 |
| PSA: | 52.60000 |
| LogP: | 2.41300 |
- 852475-26-4MC1568
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- 926293-55-26-Bromo-2-methylpyridine-3-carboxaldehyde
- 911112-05-55-Iodo-3-(trifluoromethyl)-2-pyridinamine
- 67-56-1
methanol
- 1141-38-4
2,6-Naphthalenedicarboxylic acid
- 840-65-3
dimethyl 2,6-naphthalenedicarboxylate
| Conditions | Yield |
|---|---|
| With sulfuric acid for 24h; Reflux; | 89% |
| With sulfuric acid Reflux; |
| Conditions | Yield |
|---|---|
| With sodium tetracarbonyl cobaltate; potassium carbonate; ethyl bromoacetate at 45℃; for 1.5h; | 60% |
- 116503-70-9
methyl 2-(4-carbomethoxybenzylidene)-3-buten-1-oate
- 840-65-3
dimethyl 2,6-naphthalenedicarboxylate
| Conditions | Yield |
|---|---|
| 5% Pd on active carbon In various solvent(s) for 5h; | 55% |
| Pd on carbon In ethyl acetate; 1-Methylnaphthalene |
| Conditions | Yield |
|---|---|
| With sodium tetracarbonyl cobaltate; potassium carbonate; ethyl bromoacetate at 45℃; for 1.5h; | 50% |
- 186581-53-3, 908094-01-9
diazomethane
- 1141-38-4
2,6-Naphthalenedicarboxylic acid
- 840-65-3
dimethyl 2,6-naphthalenedicarboxylate
| Conditions | Yield |
|---|---|
| With diethyl ether |
- 25733-20-4
dimethyl tricyclo<4.2.2.02,5>deca-3,7,9-triene-9,10-dicarboxylate
- 840-65-3
dimethyl 2,6-naphthalenedicarboxylate
| Conditions | Yield |
|---|---|
| (pyrolysis); |
- 123207-12-5
4-((Z)-3,3-Dimethoxy-2-methoxycarbonyl-but-1-enyl)-benzoic acid methyl ester
- 840-65-3
dimethyl 2,6-naphthalenedicarboxylate
| Conditions | Yield |
|---|---|
| at 475 - 500℃; vapor-phase pyrolysis; Yield given; |
- 67-56-1
methanol
- 2351-36-2
2,6-dichloroformyl naphthalene
A
- 7568-08-3
naphthalene-2,6-dicarboxylic acid monomethyl ester
B
- 840-65-3
dimethyl 2,6-naphthalenedicarboxylate
| Conditions | Yield |
|---|---|
| With pyridine In dichloromethane |
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: thionyl chloride, pyridine / CH2Cl2 2: pyridine / CH2Cl2 View Scheme |
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Specification
The 2,6-Naphthalenedicarboxylicacid, 2,6-dimethyl ester, with the CAS registry number 840-65-3 and EINECS registry number 212-661-4, has the systematic name of dimethyl naphthalene-2,6-dicarboxylate. It belongs to the following product categories: Naphthalene derivatives; C12 to C63; Carbonyl Compounds; Esters. And the molecular formula of the chemical is C14H12O4. What's more, while dealing with this chemical, you should not breathe dust and then try to avoid contacting with skin and eyes.
The characteristics of 2,6-Naphthalenedicarboxylicacid, 2,6-dimethyl ester are as followings: (1)ACD/LogP: 3.40; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.4; (4)ACD/LogD (pH 7.4): 3.4; (5)ACD/BCF (pH 5.5): 227.65; (6)ACD/BCF (pH 7.4): 227.65; (7)ACD/KOC (pH 5.5): 1694.13; (8)ACD/KOC (pH 7.4): 1694.13; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 52.6 Å2; (13)Index of Refraction: 1.594; (14)Molar Refractivity: 67.64 cm3; (15)Molar Volume: 199.3 cm3; (16)Polarizability: 26.81×10-24cm3; (17)Surface Tension: 46.5 dyne/cm; (18)Density: 1.225 g/cm3; (19)Flash Point: 189.2 °C; (20)Enthalpy of Vaporization: 62.28 kJ/mol; (21)Boiling Point: 375.3 °C at 760 mmHg; (22)Vapour Pressure: 7.88E-06 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(OC)c1ccc2c(c1)ccc(C(=O)OC)c2
(2)InChI: InChI=1/C14H12O4/c1-17-13(15)11-5-3-10-8-12(14(16)18-2)6-4-9(10)7-11/h3-8H,1-2H3
(3)InChIKey: GYUVMLBYMPKZAZ-UHFFFAOYAV