1,5-Dimethoxy-1,4-cyclohexadiene

Base Information

• Chemical Name: 1,5-Dimethoxy-1,4-cyclohexadiene
• CAS No.: 37567-78-5
• Molecular Formula: C8H12 O2
• Molecular Weight: 140.182
• Hs Code.: 2909209000
• European Community (EC) Number: 625-026-5
• DSSTox Substance ID: DTXSID60403078
• Nikkaji Number: J1.386.687B
• Wikidata: Q82206633
• Mol file: 37567-78-5.mol

Synonyms:1,5-Dimethoxy-1,4-cyclohexadiene;37567-78-5;1,5-dimethoxycyclohexa-1,4-diene;SCHEMBL5687562;DTXSID60403078;MDBSJHGNFNKPTA-UHFFFAOYSA-N;1,5-dimethoxy-cyclohexa-1,4diene;2,5-dihydro-1,3-dimethoxybenzene;1,5-Dimethoxy-cyclohexa-1,4-diene;AKOS015913317;1,5-Dimethoxy-1,4-cyclohexadiene, 96%;FT-0690908

Chemical Property of 1,5-Dimethoxy-1,4-cyclohexadiene

Chemical Property:

• Vapor Pressure: 0.0511mmHg at 25°C
• Refractive Index: n20/D 1.4910(lit.)
• Boiling Point: 45-52 °C0.5 mm Hg(lit.)
• Flash Point: 185 °F
• PSA: 18.46000
• Density: 1.020 g/mL at 25 °C(lit.)
• LogP: 1.84080
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 140.083729621
• Heavy Atom Count: 10
• Complexity: 150

Purity/Quality:

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

1,5-Dimethoxy-1,4-cyclohexadiene 96% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 43
• Safety Statements: 36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CCC=C(C1)OC

Technology Process of 1,5-Dimethoxy-1,4-cyclohexadiene

There total 4 articles about 1,5-Dimethoxy-1,4-cyclohexadiene 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: 95.0%

1,3-Dimethoxybenzene (151-10-0) → 1,5-dimethoxy-1,4-cyclohexadiene (37567-78-5)

Guidance literature:

With ammonia; sodium; In diethyl ether; ethanol;

DOI:10.1002/1521-3773(20000901)39:17<3080::AID-ANIE3080>3.0.CO;2-E

Reference yield: 30.0%

1,2,3-trimethoxybenzene (634-36-6) → O-methylresorcine (150-19-6) + 1,5-dimethoxy-1,4-cyclohexadiene (37567-78-5)

Guidance literature:

With lithium; ethylamine; In ethanol; at 0 ℃; for 2h;

Reference yield:

diethyl ether (60-29-7,927820-24-4) + ethanol (64-17-5) + ammonia (7664-41-7) + 1,3-Dimethoxybenzene (151-10-0) → 1,5-dimethoxy-1,4-cyclohexadiene (37567-78-5)

Guidance literature:

DOI:10.1039/jr9470000102

upstream raw materials:

1,3-Dimethoxybenzene

1,2,3-trimethoxybenzene

diethyl ether

ethanol

Downstream raw materials:

1-methoxy-cyclohex-1-ene

1,5-dimethoxy-6-phenethyl-cyclohexa-1,4-diene

2-[2-(6-methoxy-[1]naphthyl)-ethyl]-cyclohexane-1,3-dione

2-[2]naphthylmethyl-cyclohexane-1,3-dione

Refernces

• 1、 Peters, Byron K.,Rodriguez, Kevin X.,Reisberg, Solomon H.,Beil, Sebastian B.,Kawamata, Yu,Baran, Phil S.,Hickey, David P.,Klunder, Kevin,Gorey, Timothy J.,Anderson, Scott L.,Minteer, Shelley D.,Collins, Michael,Starr, Jeremy,Chen, Longrui,Udyavara, Sagar,Neurock, Matthew. "Scalable and safe synthetic organic electroreduction inspired by Li-ion battery chemistry". . p. 838 - 845. Retrieved 2019/04/30.
• 2、 Khan, Imtiaz,Reed-Berendt, Benjamin G.,Melen, Rebecca L.,Morrill, Louis C.. "FLP-Catalyzed Transfer Hydrogenation of Silyl Enol Ethers". supporting information. p. 12356 - 12359. Retrieved 2018/09/18.