Vinyl hydrogen adipate

Base Information

• Chemical Name: Vinyl hydrogen adipate
• CAS No.: 5238-38-0
• Molecular Formula: C8H12 O4
• Molecular Weight: 172.181
• Hs Code.: 2918990090
• European Community (EC) Number: 226-036-9
• DSSTox Substance ID: DTXSID70200398
• Nikkaji Number: J297.952G
• Wikidata: Q83073504
• Mol file: 5238-38-0.mol

Synonyms:Vinyl hydrogen adipate;5238-38-0;EINECS 226-036-9;Adipic acid 1-vinyl ester;SCHEMBL133533;DTXSID70200398

Chemical Property of Vinyl hydrogen adipate

Chemical Property:

• Vapor Pressure: 0.00055mmHg at 25°C
• Boiling Point: 289.5°C at 760 mmHg
• Flash Point: 114.1°C
• PSA: 63.60000
• Density: 1.119g/cm³
• LogP: 1.31810
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 172.07355886
• Heavy Atom Count: 12
• Complexity: 174

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=COC(=O)CCCCC(=O)O

Technology Process of Vinyl hydrogen adipate

There total 2 articles about Vinyl hydrogen adipate 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:

vinyl acetate (108-05-4,9003-20-7) + Adipic acid (124-04-9) → adipic acid monovinyl ester (5238-38-0)

Guidance literature:

With mercury(II) diacetate; toluene-4-sulfonic acid; 2-hydroxyresorcinol;

DOI:10.1021/ja01582a031

Reference yield:

→ adipic acid monovinyl ester (5238-38-0)

Guidance literature:

Adipinsaeure, Vinylacetat, Pd-Salze (80-90grad; neben dem Divinylester);

Reference yield: 21.0%

adipic acid monovinyl ester (5238-38-0) + arbutin (497-76-7) → 6-O-vinyladipoyl arbutin (681212-47-5)

Guidance literature:

dmap; In DMF (N,N-dimethyl-formamide); at 80 ℃; for 3h; Product distribution / selectivity;

upstream raw materials:

vinyl acetate

Adipic acid

Downstream raw materials:

6-O-vinyladipoyl arbutin