(1R,2S)-2-(3,4-Difluorophenyl)cyclopropanaminium (2R)-hydroxy(phenyl)acetate

Basic Information

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CAS Number

376608-71-8

Molecular Formula

C17H17F2NO3

Molecular Weight

321.32 g/mol

EINECS

1308068-626-2

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Amines

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Physical State

White to Off-White

Melting Point

No data available

Boiling Point

395.7±22.0 °C at 760 mmHg

Density

1.5±0.1 g/cm3

Flash Point

193.1±22.3 °C

Solubility

DMSO (Slightly), Methanol (Slightly)

SMILES

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O[C@@H](C(O)=O)C1=CC=CC=C1.N[C@@H]1C[C@H]1C1=CC=C(F)C(F)=C1

InChI

InChI=1S/C9H9F2N.C8H8O3/c10-7-2-1-5(3-8(7)11)6-4-9(6)12;9-7(8(10)11)6-4-2-1-3-5-6/h1-3,6,9H,4,12H2;1-5,7,9H,(H,10,11)/t6-,9+;7-/m01/s1

InChIKey

GUESUQPLVFMJIT-KLTOLQSASA-N

LogP

2.5840000000000005

Topological Polar Surface Area

83.55 Å²

Hydrogen Bond Donor/Acceptor

4 / 4

Complexity

312

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

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

Synonyms & References

English

(1R,2R)-2-(3,4-difluorophenyl)cyclopropanamine(S)-(carboxylato(phenyl)methyl)holmium
(1R,2S)-2-(3,4-Difluorophenyl)cyclopropanaMine (2R)-Hydroxy(phenyl)ethanoate
(αR)-α-Hydroxybenzeneacetic Acid coMpd. with (1R,2S)-2-(3,4-Difluorophenyl)cyclopropanaMine
trans-(1R,2S)-2-(2,3-difluorophenyl)cyclopropylaMine Mandelat
(1R,2S)-2-(3,4-Difluorophenyl)cyclopropanaminium (2R)-hydroxy(phenyl)ethanoate
(alphaR)-alpha-Hydroxybenzeneacetic acid compd. with (1R,2S)-2-(3,4-difluorophenyl)cyclopropanamine
(αR)-(1R,2S)-α-hydroxy-Benzeneacetic acid-coMpd.with 2-(3,4-difluorophenyl)cyclopropanaMine(1:1)
Ticagrelor InterMediate 4
(1R,2S)-2-(3,4-Difluorophenyl)cyclopropanamine (R)-2-hydroxy-2-phenylacetate
Benzeneacetic acid, a-hydroxy-, (aR)-, compd. with (1R,2S)-2-(3,4-difluorophenyl)cyclopropanamine (1:1)
(1R,2R)-2-(3,4-difluorophenyl)cyclopropanamineS-(carboxylato(phenyl)methyl)holmium
(1R,2S)-2-(3,4-Difluorophenyl)cyclopropanamine (2R)-Hydroxy(phenyl)ethanoate
(1R,2R)-2-(3,4-Difluorophenyl) cyclopropanamine-(S)-(carboxylato (phenyl)methyl)holmium
(1R,2R)-2-(3,4-difluorophenyl) cyclopropanamine(S)-(carboxylato(phenyl) methyl)holmium
(1R,2S)-2-(3,4-difluorophenyl)cyclopropan-1-amine,(2R)-2-hydroxy-2-phenylacetic acid
(1R,2S)-2-(3,4-DIFLUOROPHENYL)CYCLOPROPANAMINIUM (2R)-HYDROXY(PHENYL)ETHANOATE
(1R,2S)-2-(3,4-Difluorophenyl)cyclopropanaminium-(2R)-hydroxy(phenyl)ethanoate
(1R,2S)-2-(3,4-difluorophenyl)cyclopropylamine (R)-(-)-mandelate
(1R,2S)-2-(3,4-Difluorophenyl) cyclopropylamine D-Mandelate
EX-7182
1R,2S)-2-(3,4-Difluorophenyl)cyclopropanamine (2R)-Hydroxy(phenyl)ethanoate
(1R,2S)-2-(3,4-difluorophenyl)cyclopropan-1-amine; (2S)-2-hydroxy-2-phenylacetic acid
(1R,2S)-2-(3,4-Difluorophenyl)cyclopropan-1-amine;(2S)-2-hydroxy-2-phenylacetic acid
CID 122164931
(1R,2S)-2-(3,4-difluorophenyl)cyclopropan-1-amine; (2R)-2-hydroxy-2-phenylacetic acid
(1R,2S)-2-(3,4-difluorophenyl)cyclopropan-1-amine
(R)-2-hydroxy-2-phenylacetic acid (1:1)

MDL Number

MFCD21609183

EC Number

1308068-626-2

Customs Code

29181990

FAQ

What is (1R,2S)-2-(3,4-Difluorophenyl)cyclopropanaminium (2R)-hydroxy(phenyl)acetate (CAS: 376608-71-8)?

This compound, with the CAS number 376608-71-8, is a cyclic amine derivative containing a difluorophenyl group and a hydroxyphenylacetate moiety. It is known for its chiral structure, featuring (1R,2S) and (2R) configurations, and is commonly used in pharmaceutical research. Its molecular formula is C14H13F2NO3+

What are the main uses of (1R,2S)-2-(3,4-Difluorophenyl)cyclopropanaminium (2R)-hydroxy(phenyl)acetate (CAS: 376608-71-8)?

This compound is primarily used in pharmaceutical research for the development of drugs targeting neurological and metabolic disorders. It may also find applications in medicinal chemistry as a precursor or intermediate in the synthesis of bioactive molecules. Its unique structure makes it relevant for studying enzyme inhibition and receptor binding in drug design.

Is (1R,2S)-2-(3,4-Difluorophenyl)cyclopropanaminium (2R)-hydroxy(phenyl)acetate (CAS: 376608-71-8) safe?

Safety data for this compound is limited, but as a chemical intermediate, it should be handled with appropriate precautions. It is advisable to use personal protective equipment (PPE) when working with it and to follow standard laboratory safety protocols. Further toxicological studies are recommended to fully assess its safety profile in various applications.

How should (1R,2S)-2-(3,4-Difluorophenyl)cyclopropanaminium (2R)-hydroxy(phenyl)acetate (CAS: 376608-71-8) be stored?

This compound should be stored in a cool, dry place away from light. It is recommended to keep it in a sealed container at a temperature below 25°C and maintain low humidity levels. Avoid exposure to moisture and air to ensure stability and prolong shelf life.