Hexahydro-3a,7a-dimethyl-4,7-epoxy-1H-isoindole-1,3(2H)-dione

Base Information

• Chemical Name: Hexahydro-3a,7a-dimethyl-4,7-epoxy-1H-isoindole-1,3(2H)-dione
• CAS No.: 76970-77-9
• Molecular Formula: C10H13 N O3
• Molecular Weight: 195.218
• Hs Code.: 2925190090
• NSC Number: 115498
• DSSTox Substance ID: DTXSID90919475
• Mol file: 76970-77-9.mol

Synonyms:cantharidin imide;hexahydro-3a,7a-dimethyl-4,7-epoxy-1H-isoindole-1,3(2H)-dione

Chemical Property of Hexahydro-3a,7a-dimethyl-4,7-epoxy-1H-isoindole-1,3(2H)-dione

Chemical Property:

• Vapor Pressure: 3.53E-05mmHg at 25°C
• Boiling Point: 353.6°C at 760 mmHg
• Flash Point: 167.7°C
• PSA: 58.89000
• Density: 1.31g/cm³
• LogP: 0.49250
• XLogP3: 0
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 195.08954328
• Heavy Atom Count: 14
• Complexity: 321

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC12C3CCC(C1(C(=O)NC2=O)C)O3

Technology Process of Hexahydro-3a,7a-dimethyl-4,7-epoxy-1H-isoindole-1,3(2H)-dione

There total 1 articles about Hexahydro-3a,7a-dimethyl-4,7-epoxy-1H-isoindole-1,3(2H)-dione 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: 91.0%

cantharidin (56-25-7) → 7-oxabicyclo<2.2.1>heptane-2,3-dimethyl-2,3-dicarboxylic acid imide (76970-77-9)

Guidance literature:

With ammonium hydroxide; at 180 ℃; for 2h;

DOI:10.1248/cpb.55.92

Reference yield: 70.0%

4-Methylbenzyl alcohol (589-18-4) + 7-oxabicyclo<2.2.1>heptane-2,3-dimethyl-2,3-dicarboxylic acid imide (76970-77-9) → N-4-methylbenzylcantharidinimide

Guidance literature:

With di-isopropyl azodicarboxylate; triphenylphosphine; In tetrahydrofuran; for 12h; Ambient temperature;

DOI:10.1080/00397919908086143

Reference yield: 62.0%

7-oxabicyclo<2.2.1>heptane-2,3-dimethyl-2,3-dicarboxylic acid imide (76970-77-9) + para-Chlorobenzyl alcohol (873-76-7) → N-4-chlorobenzylcantharidinimide

Guidance literature:

With di-isopropyl azodicarboxylate; triphenylphosphine; In tetrahydrofuran; for 12h; Ambient temperature;

DOI:10.1080/00397919908086143

upstream raw materials:

cantharidin

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