(R)-(2,3-Dimethoxyphenyl){1-[2-(4-fluorophenyl)ethyl]-4-piperidinyl}methanol

Basic Information

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CAS Number

139290-65-6

Molecular Formula

C22H28FNO3

Molecular Weight

373.47 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

89-91°C

Boiling Point

499.4°Cat760mmHg

Density

1.150±0.06 g/cm3 (20 ºC 760 Torr),

Flash Point

255.8°C

Refractive Index

1.557

SMILES

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COC1=CC=CC(=C1OC)C(C2CCN(CC2)CCC3=CC=C(C=C3)F)O

InChI

InChI=1S/C22H28FNO3/c1-26-20-5-3-4-19(22(20)27-2)21(25)17-11-14-24(15-12-17)13-10-16-6-8-18(23)9-7-16/h3-9,17,21,25H,10-15H2,1-2H3/t21-/m1/s1

InChIKey

HXTGXYRHXAGCFP-OAQYLSRUSA-N

LogP

3.8310000000000035

Topological Polar Surface Area

41.93000000000001 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

422

Safety Information

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GHS Hazard Pictograms

H400

Hazard Statement

H400 Very toxic to aquatic life
Hazardous to the aquatic environment, acute hazard

Synonyms & References

English

CHEMBL74355
(R)-(2,3-Dimethoxyphenyl)-(1-(2-p-fluorophenylethyl)-piperidine-4-yl)-methanol
139290-65-6
MFCD00909060
(2,3-Dimethoxy-phenyl)-{1-[2-(4-fluoro-phenyl)-ethyl]-piperidin-4-yl}-methanol(MDL 100907)
(R)-(2,3-Dimethoxyphenyl)(1-(4-fluorophenethyl)piperidin-4-yl)methanol
Volinanserin
GTPL185
HXTGXYRHXAGCFP-OAQYLSRUSA-N
EX-A3509
EW71EE171J
MDL100.907
CAS-139290-65-6
(R)-(+)-<span class='symbol'>alpha</span>-(2,3-Dimethoxyphenyl)-1-[2 -(4-fluorophenyl)ethyl]-4-piperinemethanol
BDBM50095027
4-Piperidinemethanol, alpha-(2,3-dimethoxyphenyl)-1-(2-(4-fluorophenyl)ethyl)-, (+)-
CS-0003646
A886060
(R)-alpha-(2,3-dimethoxyphenyl)-1-[2-(4-fluorophenyl)ethyl]-4-piperidinemethanol
UNII-EW71EE171J
Serotonin 5-HT2 Receptor Antagonists
MDL100907
(R)-(1-(4-fluorophenethyl)piperidin-4-yl)(2,3-dimethoxyphenyl)methanol
Tox21_300244
M100907, >=98% (HPLC)
AC-36402
DTXCID4027363
AKOS022180892
C22H28FNO3
MDL 100907, (R)-(+)-
NCGC00247964-01

MDL Number

MFCD00909060

Customs Code

2933399090

FAQ

What are the physical and chemical properties of (R)-(2,3-Dimethoxyphenyl){1-[2-(4-fluorophenyl)ethyl]-4-piperidinyl}methanol (CAS: 139290-65-6)?

The compound (R)-(2,3-Dimethoxyphenyl){1-[2-(4-fluorophenyl)ethyl]-4-piperidinyl}methanol is a white crystalline solid with a molecular weight of approximately 467.4 g/mol. It is poorly soluble in water but soluble in organic solvents like methanol and ethanol. The compound exhibits acidic character and can react with bases. It has low reactivity under normal conditions but can undergo substitution reactions under appropriate conditions.

How is (R)-(2,3-Dimethoxyphenyl){1-[2-(4-fluorophenyl)ethyl]-4-piperidinyl}methanol (CAS: 139290-65-6) typically synthesized?

This compound is typically synthesized via coupling reactions of the appropriate piperidine and 2-(4-fluorophenyl)ethyl derivatives. The synthesis involves the use of a palladium catalyst, such as Pd(PPh3)2Cl2, in the presence of a base like triphenylphosphine. The yield can be around 70-80% with high selectivity to the desired (R)-configuration.

What industries use (R)-(2,3-Dimethoxyphenyl){1-[2-(4-fluorophenyl)ethyl]-4-piperidinyl}methanol (CAS: 139290-65-6)?

This compound is primarily used in the pharmaceutical industry for the development of new drugs, particularly in the field of central nervous system therapy. It can also be used in the polymer industry as a precursor for functional polymers. Additionally, it may have applications in sensors and semiconductors, although its specific use in these areas is limited.

What precautions should be taken when handling (R)-(2,3-Dimethoxyphenyl){1-[2-(4-fluorophenyl)ethyl]-4-piperidinyl}methanol (CAS: 139290-65-6)?

When handling (R)-(2,3-Dimethoxyphenyl){1-[2-(4-fluorophenyl)ethyl]-4-piperidinyl}methanol, it is crucial to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. The compound should be handled in a well-ventilated area or a fume hood to avoid inhalation. Spills should be handled using appropriate absorbent materials, and the area should be cleaned thoroughly. Safety data sheets (SDS) should be consulted for detailed handling and disposal instructions.