(1,2-Methanofullerene c60)-61-carboxylic acid ethyl ester

Base Information

• Chemical Name: (1,2-Methanofullerene c60)-61-carboxylic acid ethyl ester
• CAS No.: 150493-27-9
• Molecular Formula: C64H6 O2
• Molecular Weight: 806.73
• European Community (EC) Number: 633-956-8
• Nikkaji Number: J1.223.050H
• Mol file: 150493-27-9.mol

Synonyms:150493-27-9;(1,2-methanofullerene c60)-61-carboxylic acid ethyl ester

Chemical Property of (1,2-Methanofullerene c60)-61-carboxylic acid ethyl ester

Chemical Property:

• PSA: 26.30000
• Density: 2.97±0.1 g/cm3(Predicted)
• LogP: 16.48690
• Storage Temp.: 2-8°C
• XLogP3: 14.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 806.036779430
• Heavy Atom Count: 66
• Complexity: 3640

Purity/Quality:

97% ^*data from raw suppliers

(1,2-METHANOFULLERENE C60)-61-CARBOXYLIC ACID ETHYL ESTER 95.00% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1C23C14C5=C6C7=C8C9=C1C%10=C%11C%12=C%13C%14=C%10C%10=C1C1=C%15C%16=C%17C%18=C%19C%20=C%21C%22=C%23C%24=C%25C%26=C(C7=C9C%11=C%26C%12=C%24C%22=C%13C%20=C%14C%18=C%10%16)C7=C%25C9=C(C4=C76)C4=C2C(=C%17C3=C%15C5=C81)C%19=C%21C4=C%239
• General Description: (1,2-Methanofullerene C60)-61-carboxylic acid ethyl ester is a methano-bridged fullerene derivative formed via cyclopropanation of C60 with ethyl diazoacetate, typically yielding a 6-6-ring junction structure (α-homoaromatic). It can also be synthesized through reactions involving silylated nucleophiles or sulfonium ylides. This ester exhibits distinct NMR shifts due to the anisotropic effects of the fullerene sphere and shows electronic absorption spectra indicative of α-homoconjugation, which perturbs the C60 chromophore less than β-homoconjugation. (1,2-METHANOFULLERENE C60)-61-CARBOXYLIC ACID ETHYL ESTER is part of a broader class of methanofullerene derivatives used in hybrid materials and functionalization studies.

Technology Process of (1,2-Methanofullerene c60)-61-carboxylic acid ethyl ester

There total 19 articles about (1,2-Methanofullerene c60)-61-carboxylic acid ethyl ester which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 93.0%

ethanol (64-17-5) + 1,2-(3'-chloroformylcyclopropano)[60]fullerene (188175-32-8) → ethyl 3′H-cyclopropa[1,9](C60-Ih)[5,6]fullerene-3′-carboxylate (150493-27-9)

Guidance literature:

With dmap; In various solvent(s); at 20 ℃; for 3h;

DOI:10.1021/ol034793g DOI:10.1021/jo052399l

Reference yield: 68.0%

ethanol (64-17-5) + 1,2-dihydro-1,2-methanofullerene[60]-61-carboxylic acid (155116-19-1) → ethyl 3′H-cyclopropa[1,9](C60-Ih)[5,6]fullerene-3′-carboxylate (150493-27-9)

Guidance literature:

With dmap; bromobenzene; benzotriazol-1-ol; dicyclohexyl-carbodiimide; at 20 ℃; for 51h;

DOI:10.1002/hlca.19930760705

Reference yield: 58.0%

ethyl (dimethylsulfuranylidene)acetate (7380-81-6) + fullerene-C60 (99685-96-8,161105-99-3,161106-00-9,111138-12-6,133318-63-5,134053-11-5,134931-35-4,134931-36-5,139703-76-7,145633-27-8,175414-73-0,175414-74-1,175414-75-2,175519-12-7,175519-13-8,175519-14-9,175519-15-0,136376-46-0,144906-37-6,144906-38-7,151767-00-9,152882-97-8,152882-98-9,152882-99-0,153062-34-1,154171-74-1,154171-75-2,154333-99-0,154334-00-6,154397-63-4,154460-59-0,199456-56-9,108739-25-9,120329-57-9,120329-58-0) → ethyl 3′H-cyclopropa[1,9](C60-Ih)[5,6]fullerene-3′-carboxylate (150493-27-9)

Guidance literature:

In toluene; Ambient temperature;

DOI:10.1016/0040-4039(95)01443-L

upstream raw materials:

diazoacetic acid ethyl ester

fullerene-C₆₀

ethanol

1,2-dihydro-1,2-methanofullerene[60]-61-carboxylic acid

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