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[6,6]-Phenyl-C71-butyric Acid Methyl Ester (mixture of isomers)(CAS: 609771-63-3)

[6,6]-Phenyl-C71-butyric Acid Methyl Ester (mixture of isomers)
CAS Number

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Basic Information

Molecular Formula
C82H14O2
Molecular Weight
1030.99 g/mol
Physical State
Black

Physical Properties

Melting Point
min 0.015 cm2/Vs (HMDS Si/SiO2 substrate)[muFET]
Boiling Point
No data available
Density
2.67±0.1 g/cm3(Predicted)
Flash Point
No data available

Chemical Identifiers

SMILES
COC(=O)CCCC1(C23C14c5c6c7c8c9c1c%10c%11c%12c%13c%10c%10c%14c%15c%13c%13c%16c%12c%12c%17c%16c%16c%18c%13c%15c%13c%15c%14c%14c%10c1c8c1c%14c8c%15c%10c%14c%13c%18c%13c%14c(c2c%10c8c4c16)c1c3c2c5c3c7c4c9c%11c%12c4c4c%17c5c%16c%13c1c5c2c43)c1ccccc1
InChIKey
AZSFNTBGCTUQFX-UHFFFAOYSA-N

Database References

MDL Number
MFCD09842750

FAQ

[6,6]-Phenyl-C71-butyric Acid Methyl Ester (CAS: 609771-63-3) is a solid at room temperature, with a molecular weight of approximately 546.5 g/mol. It has a solubility of up to 10 mg/mL in methanol and is slightly soluble in water. It reacts readily with strong bases and acids, and exhibits moderate reactivity in esterification and other organic transformations.
[6,6]-Phenyl-C71-butyric Acid Methyl Ester (CAS: 609771-63-3) is typically synthesized via esterification of phenyl-C71-butyric acid methyl ester with phenyl boronic acid in the presence of a base such as potassium carbonate under reflux conditions. The reaction has a yield of around 75% and the mixture of isomers can be separated using column chromatography.
[6,6]-Phenyl-C71-butyric Acid Methyl Ester (CAS: 609771-63-3) is primarily used in the pharmaceutical industry for the synthesis of certain compounds. It is also utilized in the production of polymers and semiconductors for its unique physicochemical properties.
When handling [6,6]-Phenyl-C71-butyric Acid Methyl Ester (CAS: 609771-63-3), it is important to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. The compound should be used in a well-ventilated area or a fume hood. Spills should be cleaned up using appropriate absorbents, and the Material Safety Data Sheet (MSDS) should be consulted for specific disposal and handling instructions.

Safety Notice

Please verify product specifications and safety data before use. Contact the supplier for detailed safety information.

Always follow proper handling procedures

Contact Information

Contact Person

Li Shuang

Email

lishuang@hwrkchemical.com

Mobile

13269663372

Telephone

010-89508211

Address

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