1-(Azidomethyl)-4-methoxybenzene

Basic Information

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CAS Number

70978-37-9

Molecular Formula

C8H9N3O

Molecular Weight

163.18 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Melting Point

70-71 ºC

Density

1.063 g/cm3 (420 ºC),

Refractive Index

1.5272 (589.3 nm 20 ºC)

SMILES

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COC1=CC=C(C=C1)CN=[N+]=[N-]

InChI

InChI=1S/C8H9N3O/c1-12-8-4-2-7(3-5-8)6-10-11-9/h2-5H,6H2,1H3

InChIKey

IAKGGJYLHBHSQD-UHFFFAOYSA-N

LogP

1.95826

Complexity

169

Synonyms & References

English

F2157-0496
MFCD11637170
SCHEMBL13547438
para-methoxy benzyl azide
Benzene, 1-(azidomethyl)-4-methoxy-
4-Methoxybenzyl azide
IAKGGJYLHBHSQD-UHFFFAOYSA-N
EN300-66144
1-azidomethyl-4-methoxy-benzene
p-Methoxybenzyl azide
p-anisyl azide
VCA97837
1-(azidomethyl)-4-methoxybenzene
AKOS009452352
A898160
4-(Azidomethyl)anisole
70978-37-9
DTXSID60448727
4-methoxybenzylazide
SY184504
D87636
BS-13672
CHEMBL3236139
4-methoxybenzyl azide
1-azidomethyl-4-methoxybenzene
4-methoxyphenyl azide
Benzene,1-(azidomethyl)-4-methoxy
p-methoxybenzyl azide

MDL Number

MFCD11637170

Customs Code

2929909090

FAQ

What are the physical and chemical properties of 1-(Azidomethyl)-4-methoxybenzene (CAS: 70978-37-9)?

1-(Azidomethyl)-4-methoxybenzene (CAS: 70978-37-9) is a crystalline solid with a molecular weight of approximately 186.13 g/mol. It has a pKa of about 11.1, indicating basic properties. This compound is moderately soluble in common organic solvents like ethanol and chloroform but is almost insoluble in water. Chemically, it reacts readily with reducing agents and can be used as a precursor in azide chemistry. Its reactivity is influenced by its azido group, making it suitable for functionalization reactions.

How is 1-(Azidomethyl)-4-methoxybenzene (CAS: 70978-37-9) typically synthesized?

1-(Azidomethyl)-4-methoxybenzene (CAS: 70978-37-9) is typically synthesized via the azidation of 4-methoxybenzyl bromide in the presence of a base like potassium tert-butoxide. The reaction is generally conducted in an inert solvent such as THF or DMSO at low to moderate temperatures. The use of azide reagents in the presence of a suitable catalyst can enhance the selectivity and yield of the product, making the process efficient for industrial-scale production.

What industries use 1-(Azidomethyl)-4-methoxybenzene (CAS: 70978-37-9)?

1-(Azidomethyl)-4-methoxybenzene (CAS: 70978-37-9) finds applications in various industries. In pharmaceuticals, it serves as a key intermediate in the synthesis of azide-containing drugs. In the polymer industry, it can be used to introduce functional groups for further modifications. Additionally, it has applications in sensor technology and semiconductor manufacturing, where its azido group can be utilized for chemical vapor deposition (CVD) processes.

What precautions should be taken when handling 1-(Azidomethyl)-4-methoxybenzene (CAS: 70978-37-9)?

When handling 1-(Azidomethyl)-4-methoxybenzene (CAS: 70978-37-9), it is crucial to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. This compound should be handled in a well-ventilated area or a fume hood to minimize exposure. In case of a spill, it should be cleaned up using appropriate absorbent materials, and the area should be flushed with water. It is important to consult the Safety Data Sheet (SDS) for detailed emergency response procedures and storage requirements.