2-Amino-4-methoxy-5-[3-(4-morpholinyl)propoxy]benzonitrile

Basic Information

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CAS Number

675126-27-9

Molecular Formula

C15H21N3O3

Molecular Weight

280.37 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Chemical Raw Materials Organic Chemicals Nitriles

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Melting Point

88℃

Boiling Point

497.986°C at 760 mmHg

Density

1.21

SMILES

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COC1=C(C=C(C(=C1)N)C#N)OCCCN2CCOCC2

InChI

InChI=1S/C15H21N3O3/c1-19-14-10-13(17)12(11-16)9-15(14)21-6-2-3-18-4-7-20-8-5-18/h9-10H,2-8,17H2,1H3

InChIKey

DSPAUOALMSIBJA-UHFFFAOYSA-N

LogP

1.6869199999999998

Topological Polar Surface Area

56.95 Å²

Hydrogen Bond Donor/Acceptor

2 / 5

Complexity

351

Safety Information

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GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Synonyms & References

English

675126-27-9
2-amino-4-methoxy-5-(3-morpholin-4-ylpropoxy)benzonitrile
AM20090610
AKOS015895491
BCP14160
FT-0711059
BORICACID-D3
DTXSID70435047
Benzonitrile, 2-amino-4-methoxy-5-[3-(4-morpholinyl)propoxy]-
MFCD11110477
DS-3946
AC-26437
2-Amino-4-methoxy-5-(3-morpholinopropoxy)benzonitrile
A867250
SCHEMBL3281444
CS-0022482
I11587
DSPAUOALMSIBJA-UHFFFAOYSA-N
Benzonitrile,2-amino-4-methoxy-5-[3-(4-morpholinyl)propoxy]-
Gefitinib Intermediate
VZ29324
AK102794
AX8234333
Y6568
ST24039930
2-Amino-4-methoxy-5-[3-(4-morpholinyl)propoxy]benzonitrile
Benzonitrile, 2-amino-4-methoxy-5-[3-(4-morpholinyl)pro

MDL Number

MFCD11110477

Customs Code

2933599090

FAQ

What are the physical and chemical properties of 2-Amino-4-methoxy-5-[3-(4-morpholinyl)propoxy]benzonitrile (CAS: 675126-27-9)?

2-Amino-4-methoxy-5-[3-(4-morpholinyl)propoxy]benzonitrile is a crystalline solid with a molecular weight of approximately 376.41 g/mol. It is moderately soluble in common organic solvents like DMF and DMSO. The compound exhibits basic reactivity due to the amino group and is less reactive towards acidic conditions. It has a pKa around 8.5, indicating its basic nature.

How is 2-Amino-4-methoxy-5-[3-(4-morpholinyl)propoxy]benzonitrile (CAS: 675126-27-9) typically synthesized?

2-Amino-4-methoxy-5-[3-(4-morpholinyl)propoxy]benzonitrile is typically synthesized via a multistep process involving the reaction of 4-methoxy-5-hydroxybenzonitrile with morpholine followed by a propargylation reaction. The synthesis involves the use of a palladium catalyst and requires mild to moderate reaction conditions. The overall yield is around 70-75%.

What industries use 2-Amino-4-methoxy-5-[3-(4-morpholinyl)propoxy]benzonitrile (CAS: 675126-27-9)?

2-Amino-4-methoxy-5-[3-(4-morpholinyl)propoxy]benzonitrile is primarily used in the pharmaceutical industry for the synthesis of certain drug candidates. It is also explored for use in sensor technology and potentially in the polymer industry for its unique chemical properties.

What precautions should be taken when handling 2-Amino-4-methoxy-5-[3-(4-morpholinyl)propoxy]benzonitrile (CAS: 675126-27-9)?

Proper handling of 2-Amino-4-methoxy-5-[3-(4-morpholinyl)propoxy]benzonitrile requires the use of personal protective equipment (PPE) such as gloves, goggles, and a lab coat. It should be stored in a cool, dry place away from direct sunlight. In the case of a spill, it is recommended to use a fume hood and follow standard laboratory safety protocols. Always refer to the Safety Data Sheet (SDS) for detailed handling and disposal instructions.