(3aR,8aS,3a'R,8a'S)-2,2'-Methylenebis(8,8a-dihydro-3aH-indeno[1,2-d][1,3]oxazole)

Basic Information

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CAS Number

180186-94-1

Molecular Formula

C21H18N2O2

Molecular Weight

330.39 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 Dyes and Pigments Organic Dyes

Basic Physical Properties

Melting Point

204-206 °C

Boiling Point

493.2°Cat760mmHg

Flash Point

201.9°C

Refractive Index

360 ° (C=1, CH2Cl2)

SMILES

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C1C2C(C3=CC=CC=C31)N=C(O2)CC4=NC5C(O4)CC6=CC=CC=C56

InChI

InChI=1S/C21H18N2O2/c1-3-7-14-12(5-1)9-16-20(14)22-18(24-16)11-19-23-21-15-8-4-2-6-13(15)10-17(21)25-19/h1-8,16-17,20-21H,9-11H2/t16-,17-,20+,21+/m0/s1

InChIKey

BDHSVQLSNIGJNC-ZCLUNYJNSA-N

LogP

3.5659000000000027

Topological Polar Surface Area

43.18000000000001 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

563

Safety Information

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Hazard Statement

H316 Causes mild skin irritation
Skin corrosion/irritation

H320 Causes eye irritation
Serious eye damage/eye irritation

Synonyms & References

English

MFCD06797115
T71955
J-011510
SCHEMBL12269622
(+)-2,2/'-METHYLENEBIS[(3AR,8AS)-3A,8A-DIHYDRO-8H-INDENO[1,2-D]OXAZOLE]
AS-75773
NSC818112
(3aS,8bR)-2-[[(3aS,8bR)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]methyl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole
(3aR,8aS)-2-{[(3aR,8aS)-3aH,8H,8aH-indeno[1,2-d][1,3]oxazol-2-yl]methyl}-3aH,8H,8aH-indeno[1,2-d][1,3]oxazole
[3aR-[2(3'aR,8'aS),3'abeta,8'abeta]]-(+)-2,2'-Methylenebis[3a,8a-dihydro-8H-indeno[1,2-]oxazole]
[3aR-[2(3'aR*,8'aS*),3'abeta,8'abeta]]-(+)-2,2'-Methylenebis[3a,8a-dihydro-8H-indeno[1,2-d]oxazole], 98%
A]]-(+)-2,2 inverted exclamation marka-Methylenebis[3a,8a-dihydro-8H-indeno[1,2-d]oxazole]
(+)-2,2'-Methylenebis[(3aR,8aS)-3a,8a-dihydro-8H-indeno[1,2-d]oxazole]
[3aR-[2(3 inverted exclamation markaaR*,8 inverted exclamation markaaS*),3 inverted exclamation markaa
Bis((3aR,8aS)-8,8a-dihydro-3aH-indeno[1,2-d]oxazol-2-yl)methane
DTXSID50361456
AKOS015838876
NSC-818112
(3aR,8aS,3a'R,8a'S)-2,2'-Methylenebis(8,8a-dihydro-3aH-indeno[1,2-d][1,3]oxazole)
8H-Indeno[1,2-d]oxazole, 2,2'-methylenebis[3a,8a-dihydro-, (3aR,3'aR,8aS,8'aS)-
CS-W014505
A,8 inverted exclamation markaa
A881149
180186-94-1
(-)-2,2'-METHYLENEBIS-[(3AR,8AS)-3A,8A-DIHYDRO-8H-INDENO[1,2-D]OXAZOLE] EP
[3aR-[2(3'aR*,8'aS*),3'aβ,8'aβ]]-(+)-2,2'-Methylenebis[3a,8a
8H-Indeno[1,2-d]oxazole,2,2'-methylenebis[3a,8a-dihydro-, (3aR,3'aR,8aS,8'aS)-
([3-(methylsulfinyl)-3-(methylthio)cyclobutyl]oxymethyl)benzene
(3-(benzyloxy)-1-(methylsulfinyl)cyclobutyl)(methyl)sulfane
[3aR-[2(3′aR*,8′aS*),3′aβ,8′aβ]]-(+)-2,2′-Methylenebis[3a,8a
{(3aR,8aS)-bis(8,8a-dihydro-3aH-indeno[1,2-d]oxazol-2-yl)}methane

MDL Number

MFCD06797115

FAQ

What are the physical and chemical properties of (3aR,8aS,3a'R,8a'S)-2,2'-Methylenebis(8,8a-dihydro-3aH-indeno[1,2-d][1,3]oxazole) (CAS: 180186-94-1)?

The compound (3aR,8aS,3a'R,8a'S)-2,2'-Methylenebis(8,8a-dihydro-3aH-indeno[1,2-d][1,3]oxazole) is a crystalline solid with a molecular weight of approximately 316.3 g/mol. It is slightly soluble in common organic solvents like THF and DMF. Chemically, it is stable but reactive towards bases and may undergo hydrolysis. It has a characteristic absorption peak in the UV-Vis spectrum and can be used as a precursor in various organic transformations.

How is (3aR,8aS,3a'R,8a'S)-2,2'-Methylenebis(8,8a-dihydro-3aH-indeno[1,2-d][1,3]oxazole) (CAS: 180186-94-1) typically synthesized?

The compound (3aR,8aS,3a'R,8a'S)-2,2'-Methylenebis(8,8a-dihydro-3aH-indeno[1,2-d][1,3]oxazole) is typically synthesized via a multi-step process involving the condensation of two 8,8a-dihydro-3aH-indeno[1,2-d][1,3]oxazole molecules in the presence of a suitable catalyst. The reaction is performed under anhydrous conditions to ensure high yield and selectivity. The final product can be purified by recrystallization or chromatography.

What industries use (3aR,8aS,3a'R,8a'S)-2,2'-Methylenebis(8,8a-dihydro-3aH-indeno[1,2-d][1,3]oxazole) (CAS: 180186-94-1)?

The compound (3aR,8aS,3a'R,8a'S)-2,2'-Methylenebis(8,8a-dihydro-3aH-indeno[1,2-d][1,3]oxazole) is primarily used in the pharmaceutical industry as a precursor in the synthesis of other bioactive compounds. It also finds applications in the production of polymers and as a sensor material due to its optical properties. Its use in semiconductors is limited but is explored for its electronic properties.

What precautions should be taken when handling (3aR,8aS,3a'R,8a'S)-2,2'-Methylenebis(8,8a-dihydro-3aH-indeno[1,2-d][1,3]oxazole) (CAS: 180186-94-1)?

When handling (3aR,8aS,3a'R,8a'S)-2,2'-Methylenebis(8,8a-dihydro-3aH-indeno[1,2-d][1,3]oxazole), it is important to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood to minimize exposure. Spills should be cleaned up using appropriate absorbent materials and waste should be disposed of according to local regulations. Always consult the Safety Data Sheet (SDS) for detailed handling and disposal information.