3-(2-Bromo-4,5-dimethoxyphenyl)propanenitrile

Basic Information

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CAS Number

35249-62-8

Molecular Formula

C11H12BrNO2

Molecular Weight

259.14 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Nitriles

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

SMILES

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COC1=C(C=C(C(=C1)CCC#N)Br)OC

InChI

InChI=1S/C11H12BrNO2/c1-14-10-6-8(4-3-5-13)9(12)7-11(10)15-2/h6-7H,3-4H2,1-2H3

InChIKey

PKRKQYZQPMFUJG-UHFFFAOYSA-N

LogP

3.418800000000002

Topological Polar Surface Area

18.46 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

238

Synonyms & References

English

NS00029812
D87813
3-(2-bromo-4,5-dimethoxyphenyl)propionitrile
NSC 268227
SS-4417
NSC-268227
2-bromo-4,5-dimethoxy-benzenepropanenitrile
Benzenepropanenitrile, 2-bromo-4,5-dimethoxy-
3-(2-bromo-4,5-dimethoxy-phenyl)propanenitrile
35249-62-8
SCHEMBL333776
EN300-1915263
Benzenepropanenitrile,2-bromo-4,5-dimethoxy-
BRD-K40559014-001-01-4
CS-0302198
HG9MS3XRU5
PKRKQYZQPMFUJG-UHFFFAOYSA-N
Maybridge1_002076
SY283970
2-Bromo-4,5-dimethoxybenzenepropanenitrile
3-(2-Bromo-4,5-dimethoxyphenyl)propanenitrile
SR-01000641554-1
3-(2-Bromo-4,5-dimethoxyphenyl)propiononitrile
DTXSID50188746
AKOS015891324
CCG-52310
2-Bromo-4,5-Dimethoxyphenylpropionitrile
NSC268227
MFCD00100650
HMS547G08
2-bromo-4,5-dimethoxy- Benzenepropanenitrile

MDL Number

MFCD00100650

Customs Code

2926909090

FAQ

What are the physical and chemical properties of 3-(2-Bromo-4,5-dimethoxyphenyl)propanenitrile (CAS: 35249-62-8)?

3-(2-Bromo-4,5-dimethoxyphenyl)propanenitrile (CAS: 35249-62-8) is a crystalline compound with a molecular weight of approximately 290.05 g/mol. It has a low water solubility and poor solubility in common organic solvents. The compound is relatively stable but can react with bases to form amines. It is insoluble in water but slightly soluble in ethanol and acetone.

How is 3-(2-Bromo-4,5-dimethoxyphenyl)propanenitrile (CAS: 35249-62-8) typically synthesized?

3-(2-Bromo-4,5-dimethoxyphenyl)propanenitrile is commonly synthesized via a reaction of 2-bromo-4,5-dimethoxybenzaldehyde with propionitrile. The reaction is catalyzed by palladium or rhodium complexes, and the yield is typically around 85%. The reaction is typically performed under mild conditions, and the product is isolated by recrystallization.

What industries use 3-(2-Bromo-4,5-dimethoxyphenyl)propanenitrile (CAS: 35249-62-8)?

3-(2-Bromo-4,5-dimethoxyphenyl)propanenitrile (CAS: 35249-62-8) is used in the pharmaceutical industry as an intermediate for drug synthesis. It is also utilized in the polymer industry for the preparation of functional polymers, and in sensor technology due to its reactivity and stability.

What precautions should be taken when handling 3-(2-Bromo-4,5-dimethoxyphenyl)propanenitrile (CAS: 35249-62-8)?

When handling 3-(2-Bromo-4,5-dimethoxyphenyl)propanenitrile (CAS: 35249-62-8), it is essential to wear appropriate personal protective equipment (PPE), including gloves and safety goggles. It should be stored in a fume hood or under a nitrogen atmosphere to prevent contact with moisture and air. In case of a spill, neutralize the spill with an appropriate base before cleaning up. Always refer to the Safety Data Sheet (SDS) for detailed handling instructions.