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Home > Encyclopedia > (3,4-Dimethoxyphenyl)acetone

(3,4-Dimethoxyphenyl)acetone

(3,4-Dimethoxyphenyl)acetone structure

(3,4-Dimethoxyphenyl)acetone 

structure
  • CAS No:

    776-99-8

  • Formula:

    C11H14O3

  • Chemical Name:

    (3,4-Dimethoxyphenyl)acetone

  • Synonyms:

    2-Propanone,1-(3,4-dimethoxyphenyl)-;2-Propanone,(3,4-dimethoxyphenyl)-;1-(3,4-Dimethoxyphenyl)-2-propanone;3,4-Dimethoxybenzyl methyl ketone;(3,4-Dimethoxyphenyl)acetone;NSC 16700;Veratryl acetone;1-(3,4-Dimethoxyphenyl)acetone

  • Categories:

    Pharmaceutical Intermediates  >  Bulk Drug Intermediates

Description

CLEAR YELLOW TO BROWN LIQUID

(3,4-Dimethoxyphenyl)acetone Basic Attributes

194.23

194.23

212-285-0

DM28QN9QDY

16700

DTXSID00228267

2914509090

Characteristics

35.5

1.1

colorless transparent liquid

1.1±0.1 g/cm3

136-139 °C

198 °C @ Press: 20 Torr

115.0±9.6 °C

1.497

Insoluble in water.

Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

Safety Information

NONH for all modes of transport

3

R36/37/38

S24/25

UC1795500

Stable under normal temperatures and pressures.

P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501

H315

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Drug Information

3,4-dimethoxyphenylacetone

(3,4-Dimethoxyphenyl)acetone Use and Manufacturing

General procedure: To the solution of olefine (1 mmol), in THF/water (4:1, 15 mL), 10percent Pd/C (0.05 mmol) and KBrO(0.2 mol, 95percent) of 1, 2-dimethoxy-4- (2-methylallyl) benzene was added to a 250 mL four-necked flask, (0.6 mol) of O' (Oxygen source, O' Content of about 6.2percent) was cooled to -5 ° C, (0.2mol) Zn powder was added in 5 batches. The temperature of the reaction solution was controlled at about -5 , stirred for 3 hours and filtered. The reaction was carried out at room temperature for 1 hour, 50 mL of ethyl acetate, washed with water and dried over anhydrous sodium sulfate. After the organic phase was dissolved, the vacuum distillation was carried out using a ceramic packed-tower packed column (refluxing ratio of 5: 1) and a boiling range of 122-124 ° C / 5 mmHg, To give 33.4 g of a pale yellow oily liquid of veratrylacetone in an amount of 99.0percent in a yield of 85.0percent.

Computed Properties

Molecular Weight:194.23
XLogP3:1.1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:194.094294304
Monoisotopic Mass:194.094294304
Topological Polar Surface Area:35.5
Heavy Atom Count:14
Complexity:191
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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