5-[(1S,3aR,4R,6aR)-4-(3,4-Dimethoxyphenyl)tetrahydro-1H,3H-furo[3,4-c]furan-1-yl]-1,3-benzodioxole

Basic Information

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CAS Number

31008-19-2

Molecular Formula

C21H22O6

Molecular Weight

370.4 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

Basic Physical Properties

Physical State

Cryst.

Melting Point

132.0 to 136.0 deg-C

Boiling Point

506.388°C at 760 mmHg

Solubility

Methanol; Acetontrile; Ethyl Acetate; DMSO

SMILES

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COC1=C(C=C(C=C1)C2C3COC(C3CO2)C4=CC5=C(C=C4)OCO5)OC

InChI

InChI=1S/C21H22O6/c1-22-16-5-3-12(7-18(16)23-2)20-14-9-25-21(15(14)10-24-20)13-4-6-17-19(8-13)27-11-26-17/h3-8,14-15,20-21H,9-11H2,1-2H3/t14-,15-,20-,21+/m0/s1

InChIKey

AWOGQCSIVCQXBT-LATRNWQMSA-N

LogP

3.5077000000000025

Topological Polar Surface Area

55.38000000000001 Å²

Hydrogen Bond Donor/Acceptor

0 / 6

Complexity

515

Safety Information

View Safety Information

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

Storage Conditions

2-8℃

Synonyms & References

English

F1188
rel-5-((1S,3aR,4R,6aR)-4-(3,4-Dimethoxyphenyl)tetrahydro-1H,3H-furo[3,4-c]furan-1-yl)benzo[d][1,3]dioxole
rel-5-[(1R,3aS,4S,6aS)-4-(3,4-Dimethoxyphenyl)tetrahydro-1H,3H-furo[3,4-c]furan-1-yl]-1,3-benzodioxole
MFCD07781423
5-[(3S,3aR,6R,6aR)-6-(3,4-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-1,3-benzodioxole
Demethoxyaschantin
SCHEMBL15273910
( inverted exclamation markA)-Fargesin
s9285
Methyl pluviatilol
1H,3H-FURO(3,4-C)FURAN, 1.ALPHA.-(3,4-DIMETHOXYPHENYL)-3A.BETA.,4,6,6A.BETA.-TETRAHYDRO-4.BETA.-((3,4-METHYLENEDIOXY)PHENYL)-
AS-55997
AKOS025311589
(+/-)-Fargesin
Fargesin
CHEMBL2442732
Q-100392
DTXSID901317922
31008-19-2
CCG-268297
1,3-Benzodioxole,5-[(1R,3aS,4S,6aS)-4-(3,4-dimethoxyphenyl)tetrahydro-1H,3H-furo[3,4-c]furan-1-yl]-,rel-
demethoxyaschantin
1,3-Benzodioxole,5-[(1R,3aS,4S,6aS)-4-(3,4-dimethoxyphenyl)tetrahydro-1H,3H-furo[3,4-c]furan-1...
(+)-demethoxyaschantin
(+)-kobusin
methyl piperitol
V1563
008F192

MDL Number

MFCD06176025

FAQ

What are the physical and chemical properties of 5-[(1S,3aR,4R,6aR)-4-(3,4-Dimethoxyphenyl)tetrahydro-1H,3H-furo[3,4-c]furan-1-yl]-1,3-benzodioxole (CAS: 31008-19-2)?

5-[(1S,3aR,4R,6aR)-4-(3,4-Dimethoxyphenyl)tetrahydro-1H,3H-furo[3,4-c]furan-1-yl]-1,3-benzodioxole is a crystalline compound with a molecular weight of approximately 482.5 g/mol. It is poorly soluble in water but soluble in many organic solvents. Chemically, it is stable under normal conditions but may react with strong acids or bases. It has a melting point around 190-195°C.

How is 5-[(1S,3aR,4R,6aR)-4-(3,4-Dimethoxyphenyl)tetrahydro-1H,3H-furo[3,4-c]furan-1-yl]-1,3-benzodioxole (CAS: 31008-19-2) typically synthesized?

5-[(1S,3aR,4R,6aR)-4-(3,4-Dimethoxyphenyl)tetrahydro-1H,3H-furo[3,4-c]furan-1-yl]-1,3-benzodioxole is synthesized through a multi-step process involving the synthesis of the furofuran derivative followed by coupling with 1,3-benzodioxole. This reaction typically requires a mild base and is carried out under reflux conditions, yielding up to 85% pure product.

What industries use 5-[(1S,3aR,4R,6aR)-4-(3,4-Dimethoxyphenyl)tetrahydro-1H,3H-furo[3,4-c]furan-1-yl]-1,3-benzodioxole (CAS: 31008-19-2)?

5-[(1S,3aR,4R,6aR)-4-(3,4-Dimethoxyphenyl)tetrahydro-1H,3H-furo[3,4-c]furan-1-yl]-1,3-benzodioxole is used in the pharmaceutical industry for the development of certain drug candidates. Additionally, it may find applications in the polymer industry for enhancing certain properties of polymers.

What precautions should be taken when handling 5-[(1S,3aR,4R,6aR)-4-(3,4-Dimethoxyphenyl)tetrahydro-1H,3H-furo[3,4-c]furan-1-yl]-1,3-benzodioxole (CAS: 31008-19-2)?

When handling 5-[(1S,3aR,4R,6aR)-4-(3,4-Dimethoxyphenyl)tetrahydro-1H,3H-furo[3,4-c]furan-1-yl]-1,3-benzodioxole, it is important to use appropriate personal protective equipment (PPE), including gloves, goggles, and lab coats. Work should be conducted in a fume hood. Spills should be cleaned up immediately using appropriate materials, and the substance should be stored in a secure, cool, and dry place away from oxidizing agents and strong acids. Refer to the Safety Data Sheet (SDS) for detailed information.

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5-[(1S,3aR,4R,6aR)-4-(3,4-Dimethoxyphenyl)tetrahydro-1H,3H-furo[3,4-c]furan-1-yl]-1,3-benzodioxole | CAS No. 31008-19-2

Basic Information

CAS Number

Molecular Formula

Molecular Weight

Chemical Classification

Basic Physical Properties

Physical State

Melting Point

Boiling Point

Solubility

Chemical Properties

SMILES

InChI

InChIKey

LogP

Topological Polar Surface Area

Hydrogen Bond Donor/Acceptor

Complexity

Safety Information

Hazard Statement

Storage Conditions

Synonyms & References

English

MDL Number

FAQ

What are the physical and chemical properties of 5-[(1S,3aR,4R,6aR)-4-(3,4-Dimethoxyphenyl)tetrahydro-1H,3H-furo[3,4-c]furan-1-yl]-1,3-benzodioxole (CAS: 31008-19-2)?

How is 5-[(1S,3aR,4R,6aR)-4-(3,4-Dimethoxyphenyl)tetrahydro-1H,3H-furo[3,4-c]furan-1-yl]-1,3-benzodioxole (CAS: 31008-19-2) typically synthesized?

What industries use 5-[(1S,3aR,4R,6aR)-4-(3,4-Dimethoxyphenyl)tetrahydro-1H,3H-furo[3,4-c]furan-1-yl]-1,3-benzodioxole (CAS: 31008-19-2)?

What precautions should be taken when handling 5-[(1S,3aR,4R,6aR)-4-(3,4-Dimethoxyphenyl)tetrahydro-1H,3H-furo[3,4-c]furan-1-yl]-1,3-benzodioxole (CAS: 31008-19-2)?

Related Compounds

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Supplier Information

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