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2,5-Dimethoxynaphthalene

2,5-Dimethoxynaphthalene structure

CAS No:
3900-49-0
Formula:
C12H12O2
Chemical Name:
2,5-Dimethoxynaphthalene
Synonyms:
NSC167477;3,8-DiMethoxynaphthalene;1,6-DIMETHOXYNAPHTHALENE;2,5-DIMETHOXYNAPHTHALENE;1,6-DimethoxylNaphthalene;2,5-diMethoxylnaphthalene;Naphthalene,1,6-diMethoxy-;1,6-DIMETHOXYNAPHTHALENE,98+%;2,5(1,6)-DimethoxyNaphthalene
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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Description

Brown Solid

2,5-Dimethoxynaphthalene Basic Attributes

Molecular Weight：

188.22

Exact Mass：

188.083725

NSC Number：

167477

DSSTox ID：

DTXSID30304821

HScode：

2909309090

Characteristics

PSA：

18.5

XLogP3：

3.6

Appearance：

yellowish powder

Density：

1.1±0.1 g/cm3

Melting Point：

56-60 °C(lit.)

Boiling Point：

123ºC 0,8mm，311.2ºC at 760 mmHg

Flash Point：

130.3±19.9 °C

Refractive Index：

1.584

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

R41

safety instructions：

S26-S36/39

Marks：

Xi:Irritant;

Precautionary statement(s)：

P280-P305 + P351 + P338

Hazard Statements：

H318

GHS Classification：

|Danger|H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]|P280, P305+P351+P338, and P310|Aggregated GHS information provided by 39 companies from 1 notifications to the ECHA C&L Inventory.

2,5-Dimethoxynaphthalene Use and Manufacturing

Methods of Manufacturing

Into a round-bottom flask equipped with a stirring apparatus, 1.6 g (10.0 mmol) of 1, 6-dihydroxynaphthalene (Compound 39: produced by Tokyo Chemical Industry Co., Ltd.), and 15 mL of N, N-dimethylformamide (DMF) were added for dissolution, and thrther 14.2 g (100.0 mmol) of methyl iodide (produced by Wako Pure Chemical Industries, Ltd.), and 13.8 g (100.0 mmol) of potassium carbonate (produced by Wako Pure Chemical Industries, Ltd.) were added, and the reaction was carried out at room temperature for 2 hours. Afier completion of the reaction, dichloromethane and water were added, and then an organic layer, obtained by solution separation, was washed with water, and the solvent was removed from the reaction solution by concentration under reduced pressure to obtain 1 .7 g (yield:90percent) of a colorless liquid methyl derivative (Compound40).

Uses

Intermediate in the production of tetralin derivatives

Computed Properties

Molecular Weight:188.22
XLogP3:3.6
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:188.083729621
Monoisotopic Mass:188.083729621
Topological Polar Surface Area:18.5
Heavy Atom Count:14
Complexity:181
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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