1-Pyrrolidineethanol, β-methyl-α-phenyl-, (αS,βR)-

Basic Information

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CAS Number

123620-80-4

Molecular Formula

C13H19NO

Molecular Weight

205.3 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Melting Point

42.0 to 48.0 deg-C

Boiling Point

155℃/3mm

Density

1.1±0.1 g/cm3

Flash Point

112.5±11.3 °C

Refractive Index

-14.5 ° (C=2, CHCl3)

SMILES

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CC(C(C1=CC=CC=C1)O)N2CCCC2

InChI

InChI=1S/C13H19NO/c1-11(14-9-5-6-10-14)13(15)12-7-3-2-4-8-12/h2-4,7-8,11,13,15H,5-6,9-10H2,1H3/t11-,13-/m1/s1

InChIKey

FZVHJGJBJLFWEX-DGCLKSJQSA-N

LogP

2.2043

Topological Polar Surface Area

23.47 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

183

Safety Information

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GHS Hazard Pictograms

H315

H319

H335

Hazard Statement

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

Phenylpyrrolidinylpropanol
(1S,2R)-1-Phenyl-2-(1-pyrrolidinyl)-1-propanol, 98%
1-PYRROLIDINEETHANOL, .BETA.-METHYL-.ALPHA.-PHENYL-, (S-(R*,S*))-
(1S,2R)-N,N-Tetramethylenenorephedrine
Q27266772
P1375
79R77N139L
(1S,2R)-1-phenyl-2-pyrrolidin-1-ylpropan-1-ol
1-Phenyl-2-(pyrrolidin-1-yl)propan-1-ol, (1S,2R)-
123620-80-4
(1S,2R)-1-Phenyl-2-(1-pyrrolidinyl)-1-propanol
(-)-Threo-dihydro-alpha-pyrrolidinopropiophenone
1-Pyrrolidineethanol, beta-methyl-alpha-phenyl-, (S-(R*,S*))-
AC-6585
FS-2278
(1S,2R)-1-phenyl-2-(pyrrolidin-1-yl)propan-1-ol
A913368
(1S,2R)-(-)-2-(1-Pyrrolidyl)-1-phenylpropan-1-ol
AKOS015840406
(1S,2R)-1-Phenyl-2-pyrrolidin-1-yl-propan-1-ol
(-)-THREO-DIHYDRO-.ALPHA.-PYRROLIDINOPROPIOPHENONE
(1S,2R)-1-Phenyl-2-(1-pyrrolidinyl)propan-1-ol
1-PYRROLIDINEETHANOL, BETA-METHYL-ALPHA-PHENYL-, (ALPHAS,BETAR)-
56571-92-7
UNII-79R77N139L
SCHEMBL523547
A11967
MFCD02093492
56571-91-6
1-PYRROLIDINEETHANOL, .BETA.-METHYL-.ALPHA.-PHENYL-, (.ALPHA.S,.BETA.R)-
(1S,2R)-1-Phenyl-2-(pyrrolidin-1-yl)propan-1-ol

MDL Number

MFCD02093492

Customs Code

29189090

FAQ

What regulatory guidelines apply to 1-Pyrrolidineethanol, β-methyl-α-phenyl-, (αS,βR) (CAS: 123620-80-4)?

This compound is subject to regulatory guidelines under the GHS for classification and labeling, including its hazardous properties such as flammability and skin/eye irritation. It must comply with REACH regulations for registration and reporting of chemical substances in the European Union. In the US, it is regulated by the FDA for pharmaceutical applications and the EPA for environmental protection and hazardous substance management.

Are there alternatives to 1-Pyrrolidineethanol, β-methyl-α-phenyl-, (αS,βR) (CAS: 123620-80-4) in synthesis?

While there are no direct alternatives, similar compounds like 1-Pyrrolidineethanol, β-methyl-α-phenyl-, (αR,βS) can be used as a substitute in certain syntheses. Other common alternatives include 2-Phenylethanol and related pyrrolidine derivatives depending on the specific reaction conditions and desired properties.

What is the market or research trend for 1-Pyrrolidineethanol, β-methyl-α-phenyl-, (αS,βR) (CAS: 123620-80-4)?

The market for this compound shows steady growth in pharmaceutical and synthetic chemistry applications, driven by its use as a starting material in drug synthesis. Research trends are focusing on developing more efficient synthesis methods and exploring its applications in new drug candidates. Market trends indicate increasing demand in academic and industrial settings as the compound gains recognition for its unique reactivity.

How should waste containing 1-Pyrrolidineethanol, β-methyl-α-phenyl-, (αS,βR) (CAS: 123620-80-4) be handled?

Waste containing this compound should be collected in appropriate containers, properly labeled with the name and CAS number, and stored in a cool, well-ventilated area away from ignition sources. For disposal, it is recommended to incinerate the waste at a professional facility equipped for hazardous waste management. Ensure all safety precautions are followed to prevent environmental contamination and adhere to local regulations for hazardous waste disposal.