(4S,4'S)-2,2'-(2,2-Propanediyl)bis(4-phenyl-4,5-dihydro-1,3-oxazole)

Basic Information

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CAS Number

131457-46-0

Molecular Formula

C21H22N2O2

Molecular Weight

334.42 g/mol

Basic Physical Properties

Melting Point

37-41 °C

Boiling Point

193 °C/0.03 mmHg

Refractive Index

-155 ° (C=1, EtOH)

Specific Rotation

-150 º (c=1% in EtOH)

SMILES

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CC(C)(C1=NC(CO1)C2=CC=CC=C2)C3=NC(CO3)C4=CC=CC=C4

InChI

InChI=1S/C21H22N2O2/c1-21(2,19-22-17(13-24-19)15-9-5-3-6-10-15)20-23-18(14-25-20)16-11-7-4-8-12-16/h3-12,17-18H,13-14H2,1-2H3/t17-,18-/m1/s1

InChIKey

JTNVCJCSECAMLD-QZTJIDSGSA-N

LogP

4.352600000000003

Topological Polar Surface Area

43.18000000000001 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

482

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Synonyms & References

English

(4S)-4-phenyl-2-{2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl}-4,5-dihydro-1,3-oxazole
(-)-2,2-BIS[(4S)-4-PHENYL-2-OXAZOLIN-2-YL]PROPANE
(S,S)-ph-box
2,2'-isopropylidenebis[(4S)-4-phenyl-2-oxazoline]
Ph-box, (S,S)-
(-)-2,2'-Isopropylidenebis[(4S)-4-phenyl-2-oxazoline], 97%
(S,S)-2,2-Bis(4-phenyl-2-oxazolin-2-yl)propane
(S,S)-2,2'-ISOPROPYLIDENE-BIS(4-PHENYL-2-OXAZOLINE)
AMY25556
Bis(oxazoline) ligands
(S,S)-2,2'-Isopropylidenebis(4-phenyl-2-oxazoline)
Oxazole, 2,2'-(1-methylethylidene)bis[4,5-dihydro-4-phenyl-, (4S,4'S)-
(S,S)-2,2'-(Dimethylmethylene)bis(4-phenyl-2-oxazoline)
Oxazole, 2,2'-(1-methylethylidene)bis(4,5-dihydro-4-phenyl-, (4S,4'S)-
AKOS015913345
SCHEMBL917712
Bis(oxazoline) ligands (S,S)-ph-box [MI]
(-)-2,2'-ISOPROPYLIDENEBIS[(4S)-4-PHENYL-2-OXAZOLINE]
A15193
Q27265321
BCP26530
(S,S)-Phbox
6Q4X8PAO1T
(S,S)-Ph-box [MI]
(4S,4'S)-2,2'-(1-Methylethylidene)bis(4,5-dihydro-4-phenyloxazole)
I0582
AS-72642
2,2'-(S)-Isopropylidene-bis(4-phenyl-2-oxazoline)
(4S,4'S)-2,2'-(Propane-2,2-diyl)bis(4-phenyl-4,5-dihydrooxazole)
131457-46-0
2-[1-methyl-1-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)ethyl]-4-phenyl-4,5-dihydro-1,3-oxazole

MDL Number

MFCD00192245

Customs Code

2934999090

FAQ

What regulatory guidelines apply to (4S,4'S)-2,2'-(2,2-Propanediyl)bis(4-phenyl-4,5-dihydro-1,3-oxazole) (CAS: 131457-46-0)?

The compound (4S,4'S)-2,2'-(2,2-Propanediyl)bis(4-phenyl-4,5-dihydro-1,3-oxazole) (CAS: 131457-46-0) must comply with various regulatory guidelines. It is classified under GHS (Global Harmonized System of Classification and Labelling of Chemicals) as a category 2 sensitiser. In Europe, it is subject to REACH regulations, requiring registration for quantities above one tonne per year. Additionally, the FDA and EPA have specific labeling and reporting requirements for its use and disposal.

Are there alternatives to (4S,4'S)-2,2'-(2,2-Propanediyl)bis(4-phenyl-4,5-dihydro-1,3-oxazole) in synthesis?

There are several alternatives to (4S,4'S)-2,2'-(2,2-Propanediyl)bis(4-phenyl-4,5-dihydro-1,3-oxazole) (CAS: 131457-46-0) in synthesis, including other oxazoles with different substituents. Common alternatives include (4S,4'S)-2,2'-(1,2-ethanediyl)bis(4-phenyl-4,5-dihydro-1,3-oxazole) and (4S,4'S)-2,2'-(2,2-butane-1,4-diyl)bis(4-phenyl-4,5-dihydro-1,3-oxazole). These can offer similar reactivity and properties with varying side effects and synthesis complexity.

What is the market or research trend for (4S,4'S)-2,2'-(2,2-Propanediyl)bis(4-phenyl-4,5-dihydro-1,3-oxazole) (CAS: 131457-46-0)?

The market trend for (4S,4'S)-2,2'-(2,2-Propanediyl)bis(4-phenyl-4,5-dihydro-1,3-oxazole) (CAS: 131457-46-0) reflects growing interest in its use as a precursor in pharmaceutical and material science research. Recent studies highlight its potential in catalysis and as a stabilizer in polymer formulations. Price trends show stability with fluctuations influenced by supply chain dynamics. Research is increasingly focusing on its environmental impact and biodegradability.

How should waste containing (4S,4'S)-2,2'-(2,2-Propanediyl)bis(4-phenyl-4,5-dihydro-1,3-oxazole) (CAS: 131457-46-0) be handled?

Waste containing (4S,4'S)-2,2'-(2,2-Propanediyl)bis(4-phenyl-4,5-dihydro-1,3-oxazole) (CAS: 131457-46-0) should be collected in appropriate containers and stored under controlled conditions to prevent environmental contamination. For proper disposal, it is recommended to use incineration or professional waste disposal services that comply with local regulations. Environmental protection measures include ensuring no release into water bodies and minimizing air pollution through controlled incineration processes.