Methyl beta,beta-difluorophenylalaninate hydrochloride (1:1) | CAS No. 75149-43-8

Methyl beta,beta-difluorophenylalaninate hydrochloride (1:1)

Basic Information

CAS Number

75149-43-8

Molecular Formula

C10H12ClF2NO2

Molecular Weight

251.66 g/mol

AD

Basic Physical Properties

O=C(OC)C(N)C(F)(F)C1=CC=CC=C1.[H]Cl

InChI

InChI=1S/C10H11F2NO2.ClH/c1-15-9(14)8(13)10(11,12)7-5-3-2-4-6-7;/h2-6,8H,13H2,1H3;1H

InChIKey

IUYXCBNVVDUGBZ-UHFFFAOYSA-N

LogP

1.7005000000000003

Topological Polar Surface Area

52.32 Ų

Hydrogen Bond Donor/Acceptor

2 / 3

Complexity

228

Synonyms & References

English

  • Methyl 2-Amino-3,3-difluoro-3-phenylpropionate Hydrochloride
  • SY035623
  • Methyl 2-Amino-3,3-difluoro-3-phenylpropionate HCl
  • beta,beta-Difluorophenylalanine methyl ester hydrochloride
  • Methyl2-Amino-3,3-difluoro-3-phenylpropionateHydrochloride
  • methyl 2-amino-3,3-difluoro-3-phenylpropionoate hydrochloride
  • methyl 2-amino-3,3-difluoro-3-phenylpropanoate;hydrochloride
  • Phenylalanine, beta,beta-difluoro-, methyl ester hydrochloride

MDL Number

MFCD28126849

FAQ

What are the physical and chemical properties of Methyl beta,beta-difluorophenylalaninate hydrochloride (CAS: 75149-43-8)?

Methyl beta,beta-difluorophenylalaninate hydrochloride (CAS: 75149-43-8) is a crystalline compound with a molecular weight of approximately 357.01 g/mol. It is slightly soluble in water and has good solubility in organic solvents. The compound is chemically stable but reactive under certain conditions. Its melting point is around 190-195°C. It displays acidity due to the presence of the hydrochloride salt and can undergo nucleophilic substitution reactions.

How is Methyl beta,beta-difluorophenylalaninate hydrochloride (CAS: 75149-43-8) typically synthesized?

Methyl beta,beta-difluorophenylalaninate hydrochloride is typically synthesized by the esterification of beta,beta-difluorophenylalanine with methyl alcohol in the presence of a catalytic amount of an acid, such as sulfuric acid. The reaction is usually carried out under mild conditions, and the product is then neutralized with a base to form the hydrochloride salt. The reaction yields are generally good, and the product can be isolated by recrystallization.

What industries use Methyl beta,beta-difluorophenylalaninate hydrochloride (CAS: 75149-43-8)?

Methyl beta,beta-difluorophenylalaninate hydrochloride (CAS: 75149-43-8) is used in various industries, including pharmaceuticals, where it serves as a precursor for the synthesis of certain bioactive compounds. It is also used in the production of polymers, sensors, and semiconductors due to its unique chemical structure. Additionally, it finds applications in the field of organic chemistry as a useful reagent in various synthetic transformations.

What precautions should be taken when handling Methyl beta,beta-difluorophenylalaninate hydrochloride (CAS: 75149-43-8)?

When handling Methyl beta,beta-difluorophenylalaninate hydrochloride (CAS: 75149-43-8), it is essential to use personal protective equipment (PPE) such as gloves, goggles, and a lab coat. The compound should be stored in a cool, dry place away from direct sunlight and heat sources. Spills should be cleaned up using appropriate absorbents, and the area should be well-ventilated. In case of exposure, seek medical advice immediately. Always refer to the Safety Data Sheet (SDS) for detailed handling and emergency procedures.

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