Dibenzyl adipate

Base Information

• Chemical Name: Dibenzyl adipate
• CAS No.: 2451-84-5
• Molecular Formula: C20H22 O4
• Molecular Weight: 326.392
• Hs Code.: 2917120090
• European Community (EC) Number: 219-516-4
• UNII: X8CKX63ROM
• DSSTox Substance ID: DTXSID5062427
• Nikkaji Number: J151.201C
• Wikidata: Q27293686
• Mol file: 2451-84-5.mol

Synonyms:Dibenzyl adipate;2451-84-5;Adipic Acid Dibenzyl Ester;Dibenzyl hexanedioate;Hexanedioic acid, bis(phenylmethyl) ester;UNII-X8CKX63ROM;X8CKX63ROM;Hexanedioic acid,1,6-bis(phenylmethyl) ester;Hexanedioic acid, 1,6-bis(phenylmethyl) ester;EINECS 219-516-4;DibenzylAdipate;Dibenzyl=adipate;Dibenzyl hexanedioate #;1,6-dibenzyl hexanedioate;Adipic acid, dibenzyl ester;SCHEMBL18673;DTXSID5062427;CAA45184;MFCD00059667;AKOS037646108;AS-66595;A0618;CS-0320616;FT-0709553;Hexanedioic acid,1,6-bis(phenylmethyl)ester;D88296;A877891;Q27293686

Chemical Property of Dibenzyl adipate

Chemical Property:

• Vapor Pressure: 7.38E-08mmHg at 25°C
• Melting Point: 34.0 to 37.0 °C
• Boiling Point: 437.6°Cat760mmHg
• Flash Point: 214.4°C
• PSA: 52.60000
• Density: 1.129g/cm³
• LogP: 4.03360
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 11
• Exact Mass: 326.15180918
• Heavy Atom Count: 24
• Complexity: 332

Purity/Quality:

98%,99%, ^*data from raw suppliers

Dibenzyl Adipate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)COC(=O)CCCCC(=O)OCC2=CC=CC=C2
• Uses: Dibenzyl Adipate is used as a plasticiser.

Technology Process of Dibenzyl adipate

There total 16 articles about Dibenzyl 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: 97.8%

Adipic acid (124-04-9) + benzyl alcohol (100-51-6,185532-71-2) → dibenzyl adipate (2451-84-5)

Guidance literature:

toluene-4-sulfonic acid; In toluene; at 95 - 125 ℃; for 6.33333h; under 502.55 Torr; Heating / reflux;

Reference yield: 97.0%

C20H20O4 → dibenzyl adipate (2451-84-5)

Guidance literature:

With C₃₄H₃₂N₂Ru; hydrogen; In toluene; at 60 ℃; for 18h; under 7500.75 Torr; Autoclave;

DOI:10.1002/cctc.201800525

Reference yield: 81.0%

Adipic acid (124-04-9) + benzyldimethyl-2-hydroxyethyl-ammonium chloride (7221-40-1) → dibenzyl adipate (2451-84-5)

Guidance literature:

With urea; at 140 ℃; for 2h; Green chemistry;

DOI:10.1080/00397911.2017.1390138

upstream raw materials:

succinic acid monobenzyl ester

Adipic acid dichloride

benzyl alcohol

Adipic acid

Downstream raw materials:

N-phenylazepane

Refernces

• 1、 Yang, Ji,Liu, Jiawang,Neumann, Helfried,Franke, Robert,Jackstell, Ralf,Beller, Matthias. "Direct synthesis of adipic acid esters via palladium-catalyzed carbonylation of 1,3-dienes". . p. 1514 - 1517. Retrieved 2020/01/08.
• 2、 Maity, Pradip K.,Tunge, Jon A.. "Assisted Tandem Catalytic Conversion of Acrylates into Adipic Esters". . p. 3419 - 3423. Retrieved 2018/07/31.