1,2-Epoxyheptane

Base Information

• Chemical Name: 1,2-Epoxyheptane
• CAS No.: 5063-65-0
• Molecular Formula: C7H14 O
• Molecular Weight: 114.188
• Hs Code.: 2910900090
• European Community (EC) Number: 679-936-2
• NSC Number: 24250
• DSSTox Substance ID: DTXSID30911736
• Nikkaji Number: J91.334K
• Mol file: 5063-65-0.mol

Synonyms:1,2-Epoxyheptane;5063-65-0;2-Pentyloxirane;Pentyloxirane;1-Heptene oxide;Oxirane, pentyl-;Heptene 1,2-oxide;Heptane, 1,2-epoxy-;1,2-Heptylene Oxide;Heptylene oxide;Heptane,2-epoxy-;2-Pentyloxirane #;NSC 24250;(+)-1,2-epoxyheptane;SCHEMBL50924;DTXSID30911736;NSC24250;MFCD00037521;NSC-24250;AKOS009157136;BS-22663;CS-0205209;E0312;FT-0693826;T72538;EN300-1852162;InChI=1/C7H14O/c1-2-3-4-5-7-6-8-7/h7H,2-6H2,1H

Chemical Property of 1,2-Epoxyheptane

Chemical Property:

• Refractive Index: 1.4130-1.4150
• Boiling Point: 139.7°Cat760mmHg
• Flash Point: 33.9°C
• PSA: 12.53000
• Density: 0.869g/cm³
• LogP: 1.96550
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 114.104465066
• Heavy Atom Count: 8
• Complexity: 61.4

Purity/Quality:

99.9% ^*data from raw suppliers

1,2-Epoxyheptane ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCC1CO1

Technology Process of 1,2-Epoxyheptane

There total 8 articles about 1,2-Epoxyheptane 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-Heptene (592-76-7) → 1,2-epoxyheptane (5063-65-0) + 1-hepten-3-ol (4938-52-7)

Guidance literature:

With tert.-butylhydroperoxide; In 1,2- dichloroethane; for 22h; Reflux;

DOI:10.1080/00958972.2011.636038

Reference yield:

1-Heptene (592-76-7) + cyclohexene (110-83-8) → 1,2-epoxyheptane (5063-65-0) + 1,2-heptanediol (3710-31-4) + 1,2-Cyclohexanediol (931-17-9) + cyclohexane-1,2-epoxide (286-20-4)

Guidance literature:

With dihydrogen peroxide; In methanol; water; at 64.84 ℃; for 2h; regioselective reaction;

DOI:10.1016/j.molcata.2010.05.024

Reference yield:

1-Heptene (592-76-7) → 1,2-epoxyheptane (5063-65-0) + 1-hydroxy-2-acetoxyheptane (81947-74-2) + 1-acetoxy-2-hydroxyheptane (39846-66-7) + 1-hydroxy-2-butyroxyheptane (103634-42-0)

Guidance literature:

With oxygen; nickel diacetate; butyraldehyde; In acetic acid; at 50 ℃; for 4h; Yield given. Further byproducts given. Yields of byproduct given;

DOI:10.1007/BF00963242

upstream raw materials:

1-Heptene

cyclohexene

Downstream raw materials:

heptanal

15-oxo-13,14-dihydro-prostaglandin F_2α

C₁₃H₂₁NO₃PS^(1-)*Na⁽¹⁺⁾

(S)-2-pentyloxirane

Refernces

• 1、 Tong, Jinhui,Li, Wenyan,Bo, Lili,Wang, Huan,Hu, Yusen,Zhang, Zhixia,Mahboob, Abdulla. "Selective oxidation of styrene catalyzed by cerium-doped cobalt ferrite nanocrystals with greatly enhanced catalytic performance". . p. 474 - 481. Retrieved 2016/11/18.
• 2、 Kumar, Girijesh,Kumar, Gulshan,Gupta, Rajeev. "Manganese- and cobalt-based coordination networks as promising heterogeneous catalysts for olefin epoxidation reactions". . p. 2603 - 2615. Retrieved 2015/03/30.