6-Methyl-1,3-benzodioxol-5-amine

Basic Information

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CAS Number

62052-49-7

Molecular Formula

C8H9NO2

Molecular Weight

151.17 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Boiling Point

288.652°C at 760 mmHg

Density

1.268

Flash Point

139.593°C

Refractive Index

1.613

SMILES

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CC1=CC2=C(C=C1N)OCO2

InChI

InChI=1S/C8H9NO2/c1-5-2-7-8(3-6(5)9)11-4-10-7/h2-3H,4,9H2,1H3

InChIKey

PFLGEPXBHVTBNJ-UHFFFAOYSA-N

LogP

1.30592

Topological Polar Surface Area

44.480000000000004 Å²

Hydrogen Bond Donor/Acceptor

2 / 3

Complexity

151

Synonyms & References

English

CS-0188386
(6-Methyl-1,3-benzodioxol-5-yl)amine
SY042875
CCG-344703
E76150
PFLGEPXBHVTBNJ-UHFFFAOYSA-N
6-methyl-1,3-benzodioxol-5-amine
EN300-130142
MFCD00666599
SB76676
6-methyl-2H-1,3-benzodioxol-5-amine
(3,4-methylenedioxy)-6-methylaniline
62052-49-7
6-methyl-1,3-dioxaindan-5-amine
DTXSID60498520
47H
SCHEMBL1027495
Z1198154495
AKOS003351192
HR-0363
6-Methylbenzo[d][1,3]dioxol-5-amine
CHEMBRDG-BB 9071726
1,3-Benzodioxol-5-amine, 6-methyl-
6-methyl-1,3-Benzodioxol-5-amine
6-methyl-2H-benzo[d]1,3-dioxolene-5-ylamine
BBL003596
CTK2C8105
SBB072242
STK895046
SureCN1027495

MDL Number

MFCD00666599

Customs Code

2932999099

FAQ

What are the physical and chemical properties of 6-Methyl-1,3-benzodioxol-5-amine (CAS: 62052-49-7)?

6-Methyl-1,3-benzodioxol-5-amine is a white crystalline solid with a molecular weight of approximately 204.23 g/mol. It is slightly soluble in water and has a pKa of around 8.5. The compound is reactive towards bases and can undergo substitution reactions, particularly with nucleophiles.

How is 6-Methyl-1,3-benzodioxol-5-amine (CAS: 62052-49-7) typically synthesized?

6-Methyl-1,3-benzodioxol-5-amine can be synthesized via the amide coupling of 6-methyl-1,3-benzodioxol-5-carboxylic acid with a suitable amine, such as methylamine. The reaction is typically catalyzed by a coupling agent like 1-ethyl-3-(3-dimethylaminopropyl) carbodiimide (EDC) and N-hydroxysuccinimide (NHS) in the presence of a base like triethylamine.

What industries use 6-Methyl-1,3-benzodioxol-5-amine (CAS: 62052-49-7)?

6-Methyl-1,3-benzodioxol-5-amine finds applications in the pharmaceutical industry as an intermediate in the synthesis of drugs. It is also used in the polymer industry for the modification of polymer properties and in the sensor industry for developing sensitive chemical sensors due to its unique chemical reactivity.

What precautions should be taken when handling 6-Methyl-1,3-benzodioxol-5-amine (CAS: 62052-49-7)?

When handling 6-Methyl-1,3-benzodioxol-5-amine, it is essential to wear appropriate personal protective equipment (PPE), including gloves, safety goggles, and a lab coat. The compound should be stored in a closed container in a cool, dry place away from direct sunlight. In case of spill, use a fume hood and follow standard spill procedures. For detailed safety information, refer to the Material Safety Data Sheet (MSDS/SDS).