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6-Methoxy-1-tetralone

6-Methoxy-1-tetralone structure

CAS No:
1078-19-9
Formula:
C11H12O2
Chemical Name:
6-Methoxy-1-tetralone
Synonyms:
1(2H)-Naphthalenone,3,4-dihydro-6-methoxy-;3,4-Dihydro-6-methoxy-1(2H)-naphthalenone;6-Methoxy-1-tetralone;6-Methoxy-1-oxo-1,2,3,4-tetrahydronaphthalene;6-Methoxy-α-tetralone;1,2,3,4-Tetrahydro-6-methoxy-1-naphthalenone;1-Oxo-1,2,3,4-tetrahydro-6-methoxynaphthalene;6-Methoxy-3,4-dihydro-1(2H)-naphthalenone;NSC 41700;6-Methoxy-3,4-dihydro-2H-naphthalen-1-one;6-Methoxy-3,4-dihydronaphthalene-1(2H)-one;6-Methoxy-1,2,3,4-tetrahydronaphthalen-1-one
Categories:
Chemical Reagents > Organic Reagents

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Description

yellow to light brown fine crystalline powder

6-Methoxy-1-tetralone Basic Attributes

Molecular Weight：

176.21

Exact Mass：

176.21

BRN：

972739

EC Number：

214-078-0

UNII：

IA52U30635

NSC Number：

41700

DSSTox ID：

DTXSID6057617

HScode：

2942000000

Characteristics

PSA：

26.3

XLogP3：

Appearance：

Yellow to light brown Fine Crystalline Powder

Density：

1.0558 (rough estimate)

Melting Point：

78 °C

Boiling Point：

135-139 °C @ Press: 1 Torr

Flash Point：

171°C/11mm

Refractive Index：

1.5250 (estimate)

Storage Conditions：

0-6°C

Vapor Pressure：

0.000528mmHg at 25°C

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

22-36/37/38-20/21/22

safety instructions：

24/25-36-26

Marks：

Xn,Xi

Hazard note：

Irritant

Stability/Shelf Life：

Stable under normal temperatures and pressures.

Precautionary statement(s)：

P264, P270, P301+P312, P330, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|Aggregated GHS information provided by 54 companies from 3 notifications to the ECHA C&L Inventory.

6-Methoxy-1-tetralone Use and Manufacturing

Methods of Manufacturing

Derived from the oxidation of tetrahydronaphthalene methyl ether. Mix tetrahydronaphthalene methyl ether with water and cool, slowly add potassium permanganate sulfuric acid solution under vigorous stirring, and control the temperature at 40-45°C. After the addition, the reaction was continued for 2h. Let stand to release acid water from the lower layer, add water to cool, and filter below 0°C. Add the filter cake to water, stir it into a paste with sodium hydroxide solvent and detergent, stir for 2 hours, filter, wash with water to neutral, and dry below 55°C to obtain 6-methoxytetralone.

Uses

This product can be used as an intermediate for family planning drugs. Intermediates of 18-methyl norethisterone, trienolone and other drugs

Manufacturing Info：

1(2H)-Naphthalenone, 3,4-dihydro-6-methoxy-: ACTIVE

Computed Properties

Molecular Weight:176.21
XLogP3:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:176.083729621
Monoisotopic Mass:176.083729621
Topological Polar Surface Area:26.3
Heavy Atom Count:13
Complexity:200
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Synthesis Route

93340-26-2

Material

Sulfuric acid

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