Diallyl adipate

Base Information

• Chemical Name: Diallyl adipate
• CAS No.: 2998-04-1
• Deprecated CAS: 109298-40-0,159134-14-2,159134-14-2
• Molecular Formula: C12H18O4
• Molecular Weight: 226.273
• Hs Code.: 2917120090
• European Community (EC) Number: 221-071-6
• NSC Number: 20973
• DSSTox Substance ID: DTXSID0062763
• Nikkaji Number: J47.010D
• Wikidata: Q63392852
• Mol file: 2998-04-1.mol

Synonyms:DIALLYL ADIPATE;2998-04-1;Hexanedioic acid, di-2-propenyl ester;Allyl adipate;Adipic acid, diallyl ester;bis(prop-2-enyl) hexanedioate;Adipic Acid Diallyl Ester;Diallylester kyseliny adipove;EINECS 221-071-6;Diallylester kyseliny adipove [Czech];MFCD00039826;NSC 20973;BRN 1790571;AI3-06065;Adipic acid diallyl;Diallyl hexanedioate #;SCHEMBL153651;WLN: 1U2OV4VO2U1;2,3-DIFLUOROMANDELICACID;DTXSID0062763;CAA99804;NSC20973;AC5842;NSC-20973;AKOS024348860;Hexanedioic acid, bis(2-propenyl) ester;LS-15236;SY049054;A0824;FT-0634592;Hexanedioic acid, 1,6-di-2-propen-1-yl ester;4-02-00-01967 (Beilstein Handbook Reference);Q63392852

Chemical Property of Diallyl adipate

Chemical Property:

• Vapor Pressure: 0.00234mmHg at 25°C
• Refractive Index: 1.4510-1.4540
• Boiling Point: 125-126°C 3mm
• Flash Point: 133.8°C
• PSA: 52.60000
• Density: 1,02 g/cm3
• LogP: 2.00520
• Water Solubility.: Insoluble in water
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 11
• Exact Mass: 226.12050905
• Heavy Atom Count: 16
• Complexity: 219

Purity/Quality:

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

bis(Prop-2-enyl)Hexanedioate ^*data from reagent suppliers

Safty Information:

• Statements: 22
• Safety Statements: 36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=CCOC(=O)CCCCC(=O)OCC=C
• Uses: bis(Prop-2-enyl) Hexanedioate is used in preparation method of modified wax micropowder by irradiation crosslinking technology for coating ink.

Technology Process of Diallyl adipate

There total 2 articles about Diallyl 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: 100.0%

Adipic acid (124-04-9) + allyl alcohol (107-18-6) → diallyl adipate (2998-04-1)

Guidance literature:

With chloro-trimethyl-silane; at 0 - 20 ℃; for 12h; Inert atmosphere;

DOI:10.1002/anie.201508906

Reference yield:

→ diallyl adipate (2998-04-1)

Guidance literature:

Aus Adipinsaeure, Allylalkohol mit Hilfe v. TsOH;

Reference yield: 36.0%

diallyl adipate (2998-04-1) + benzyl bromide (100-39-0) → allyl 1-benzyl-2-oxocyclopentanecarboxylate

Guidance literature:

DOI:10.1021/ja063335a

upstream raw materials:

Adipic acid

allyl alcohol

Downstream raw materials:

allyl 2-oxocyclopentane-1-carboxylate

(+/-)-estrone methyl ether, C⁽⁹⁾-epimer

allyl 2-(phenylazo)cyclopentene-1-carboxylate

5-phenyl-3,3a,4,5,7,8-hexahydrocyclopentafuro<3,4-d>pyridazin-1(9H)-one

Refernces

• 1、 Dagoneau, Dylan,Xu, Zhengren,Wang, Qian,Zhu, Jieping. "Enantioselective Total Syntheses of (-)-Rhazinilam, (-)-Leucomidine B, and (+)-Leuconodine F". supporting information. p. 760 - 763. Retrieved 2016/02/27.
• 2、 Huang, Jiu-Zhong,Jie, Xiao-Ke,Wei, Kun,Zhang, Hongbin,Wang, Min-Cai,Yang, Yu-Rong. "Formal synthesis of aspidospermidine via the intramolecular cascade transannular cyclization". supporting information. p. 1303 - 1306. Retrieved 2013/07/27.