Methyl (3-amino-2,6-difluorophenyl)acetate

Basic Information

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CAS Number

361336-80-3

Molecular Formula

C9H9F2NO2

Molecular Weight

201.17 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Amines

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Boiling Point

267.2°C at 760 mmHg

SMILES

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COC(=O)CC1=C(C=CC(=C1F)N)F

InChI

InChI=1S/C9H9F2NO2/c1-14-8(13)4-5-6(10)2-3-7(12)9(5)11/h2-3H,4,12H2,1H3

InChIKey

ROSSYYRWJGVZJB-UHFFFAOYSA-N

LogP

1.2625

Topological Polar Surface Area

52.32 Å²

Hydrogen Bond Donor/Acceptor

2 / 3

Complexity

213

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H332 Harmful if inhaled
Acute toxicity, inhalation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

BENZENEACETIC ACID, 3-AMINO-2,6-DIFLUORO-, METHYL ESTER
(3-AMINO-2,6-DIFLUORO-PHENYL)-ACETIC ACID METHYL ESTER
CS-W006855
MFCD06658469
Methyl 2-(3-amino-2 pound not6-difluorophenyl)acetate
Methyl (3-amino-2,6-difluorophenyl)acetate
DTXSID20450068
2-(3-amino-2,6-difluorophenyl)acetic acid methyl ester
3-Amino-2,6-difluorobenzeneacetic acid methyl ester
AM84030
Methyl 2-(3-amino-2,6-difluorophenyl)acetate
FT-0644509
AKOS015851541
DS-2311
ROSSYYRWJGVZJB-UHFFFAOYSA-N
methyl 2-[3-azanyl-2,6-bis(fluoranyl)phenyl]ethanoate
SCHEMBL6286616
361336-80-3
CL8809
(3-Amino-2,6-difluorophenyl)acetic acid methyl ester
SY113238
SB36824
methyl 3-amino-2,6-difluorophenylacetate
A823135
AB25811
Benzeneacetic acid, 3-amino-2,6-difluoro-, methyl ester
KSC496I3F
FCH1379305
VZ32507

MDL Number

MFCD06658469

FAQ

What are the physical and chemical properties of Methyl (3-amino-2,6-difluorophenyl)acetate (CAS: 361336-80-3)?

Methyl (3-amino-2,6-difluorophenyl)acetate is a crystalline compound with a molecular weight of approximately 223.08 g/mol. It has a low solubility in water but is more soluble in organic solvents like ethanol and acetone. The compound exhibits moderate reactivity, particularly towards nucleophiles due to the presence of the amino and fluoro substituents. It is stable under normal laboratory conditions but should be stored in a cool, dark place to prevent photo-degradation.

How is Methyl (3-amino-2,6-difluorophenyl)acetate (CAS: 361336-80-3) typically synthesized?

Methyl (3-amino-2,6-difluorophenyl)acetate is synthesized via a multi-step process involving the reduction of a precursor diazonium salt followed by the coupling reaction with a methyl ester. Commonly used catalysts include palladium-based complexes. The reaction typically yields a high selectivity towards the desired product with a yield of around 75-85%. Care must be taken to use appropriate safety equipment and handle the intermediate diazonium salt under inert conditions to prevent unwanted reactions.

What industries use Methyl (3-amino-2,6-difluorophenyl)acetate (CAS: 361336-80-3)?

Methyl (3-amino-2,6-difluorophenyl)acetate finds applications in the pharmaceutical industry for the synthesis of active pharmaceutical ingredients (APIs). It is also used in the polymer industry as a monomer for the production of speciality polymers. Additionally, it is utilized in the development of sensors and semiconductors due to its unique electronic properties.

What precautions should be taken when handling Methyl (3-amino-2,6-difluorophenyl)acetate (CAS: 361336-80-3)?

When handling Methyl (3-amino-2,6-difluorophenyl)acetate, it is crucial to wear proper personal protective equipment (PPE), including gloves, safety goggles, and a lab coat. The compound should be handled in a well-ventilated area, preferably under a fume hood, to minimize exposure. Spills should be immediately cleaned up using appropriate absorbent materials, and the area should be ventilated thoroughly. Refer to the Safety Data Sheet (SDS) for detailed emergency procedures and disposal instructions.