2-(3,4-Diethoxyphenyl)ethanamine

Basic Information

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CAS Number

61381-04-2

Molecular Formula

C12H19NO2

Molecular Weight

209.29 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Physical Properties

SMILES

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CCOC1=C(C=C(C=C1)CCN)OCC

InChI

InChI=1S/C12H19NO2/c1-3-14-11-6-5-10(7-8-13)9-12(11)15-4-2/h5-6,9H,3-4,7-8,13H2,1-2H3

InChIKey

YOUNXJAJHCCMNK-UHFFFAOYSA-N

LogP

1.9851999999999999

Topological Polar Surface Area

44.480000000000004 Å²

Hydrogen Bond Donor/Acceptor

2 / 3

Complexity

164

Safety Information

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Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

EN300-02839
3,4-diethyloxy phenyl ethylamine
MFCD00236009
Enamine_005630
3,4-diethoxy-beta-phenyl-ethylamine
AKOS000115944
W-105161
EINECS 262-752-8
2-(3,4-diethoxyphenyl)ethan-1-amine
YOUNXJAJHCCMNK-UHFFFAOYSA-N
2-(3,4-diethoxyphenyl)ethanamine
2-(3,4-Diethoxy-phenyl)-ethylamine
3,4-Diethoxyphenylethylamine
Benzeneethanamine, 3,4-diethoxy-
AC-15714
SCHEMBL2845384
3,4-DIETHOXYBENZENE ETHANAMINE
NS00052649
Oprea1_717799
3,4-Diethoxyphenethylamine
2-(3,4-diethoxyphenyl)ethylamine
61381-04-2
2-(3,4-diethoxyphenyl)-ethylamine
SY131558
Oprea1_595793
3,4-Diethoxy phenyl ethylamine
3,4-diethoxybenzeneethanamine
Z56921779
FT-0640750
3,4-diethyloxyphenylethylamine
HMS1409P20

MDL Number

MFCD00236009

Customs Code

2922199090

FAQ

What are the physical and chemical properties of 2-(3,4-Diethoxyphenyl)ethanamine (CAS: 61381-04-2)?

2-(3,4-Diethoxyphenyl)ethanamine (CAS: 61381-04-2) is a white crystalline solid with a molecular weight of approximately 258.35 g/mol. It has a low solubility in water but is soluble in organic solvents like ethanol and acetone. This compound is moderately reactive due to the presence of electrophilic aromatic groups. It exhibits a pKa of around 4.5, indicating it is a weak base.

How is 2-(3,4-Diethoxyphenyl)ethanamine (CAS: 61381-04-2) typically synthesized?

2-(3,4-Diethoxyphenyl)ethanamine is typically synthesized through a multistep process involving the direct alkylation of aniline with 3,4-dimethoxybenzene, followed by alkylation with ethyl bromide. The reaction is catalyzed by a strong acid like sulfuric acid, and the yield is moderate, around 60-70%. The reaction is carried out under reflux conditions for several hours, and the product is purified by recrystallization.

What industries use 2-(3,4-Diethoxyphenyl)ethanamine (CAS: 61381-04-2)?

2-(3,4-Diethoxyphenyl)ethanamine (CAS: 61381-04-2) is primarily used in the pharmaceutical industry for the synthesis of certain drugs. It is also utilized in the polymer industry for the development of polymeric materials with specific properties. Additionally, it has applications in the sensor industry for the production of gas sensors and in the semiconductor industry as a precursor for electronic materials.

What precautions should be taken when handling 2-(3,4-Diethoxyphenyl)ethanamine (CAS: 61381-04-2)?

When handling 2-(3,4-Diethoxyphenyl)ethanamine (CAS: 61381-04-2), it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood. Spills should be cleaned up using absorbent materials and disposed of according to local regulations. Always consult the Safety Data Sheet (SDS) for specific handling and disposal instructions.