cis,trans,trans-3,5-Dioxa-bicyclo[5.1.0]octane-8-carboxylic acid ethyl ester

Base Information

• Chemical Name: cis,trans,trans-3,5-Dioxa-bicyclo[5.1.0]octane-8-carboxylic acid ethyl ester
• CAS No.: 81056-10-2
• Molecular Formula: C₉H₁₄O₄
• Molecular Weight: 186.208
• Hs Code.: 2932999099
• DSSTox Substance ID: DTXSID60457556
• Wikidata: Q82280434
• Mol file: 81056-10-2.mol

Synonyms:81056-10-2;CIS,TRANS,TRANS-3,5-DIOXA-BICYCLO[5.1.0]OCTANE-8-CARBOXYLIC ACID ETHYL ESTER;DTXSID60457556;MolPort-000-149-971;AKOS006293376;(1R,7S,8r)-ethyl 3,5-dioxabicyclo[5.1.0]octane-8-carboxylate;cis,trans-3,5-Dioxa-bicyclo[5.1.0]octane-8-carboxylic acid ethyl ester;cis, trans, trans-3,5-Dioxabicyclo[5.1.0]octane-8-carboxylic acid ethyl ester

Chemical Property of cis,trans,trans-3,5-Dioxa-bicyclo[5.1.0]octane-8-carboxylic acid ethyl ester

Chemical Property:

• PSA: 44.76000
• LogP: 0.41600
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 186.08920892
• Heavy Atom Count: 13
• Complexity: 192

Purity/Quality:

95% ^*data from raw suppliers

CIS, TRANS, TRANS-3,5-DIOXA-BICYCLO[5.1.0]OCTANE-8-CARBOXYLIC ACID ETHYL ESTER 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1C2C1COCOC2
• Isomeric SMILES: CCOC(=O)C1[C@H]2[C@@H]1COCOC2

Technology Process of cis,trans,trans-3,5-Dioxa-bicyclo[5.1.0]octane-8-carboxylic acid ethyl ester

There total 1 articles about cis,trans,trans-3,5-Dioxa-bicyclo[5.1.0]octane-8-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:

1,3-dioxa-5-cycloheptene (5417-32-3) + diazoacetic acid ethyl ester (623-73-4) → diethyl diglycolate (6634-17-9) + 3,5-Dioxabicyclo<5.1.0>octan-exo-8-carbonsaeure-ethylester (81056-10-2)

Guidance literature:

With copper(II) sulfate; at 70 ℃; for 0.166667h; Yield given; solvent: (iPrC₆H₁₂)3N;

upstream raw materials:

1,3-dioxa-5-cycloheptene

diazoacetic acid ethyl ester

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