1-Methoxycyclohexa-1,4-diene

Base Information

• Chemical Name: 1-Methoxycyclohexa-1,4-diene
• CAS No.: 2886-59-1
• Molecular Formula: C7H10 O
• Molecular Weight: 110.156
• Hs Code.: 2909200090
• European Community (EC) Number: 220-747-8
• DSSTox Substance ID: DTXSID70183056
• Nikkaji Number: J306.808K
• Wikidata: Q83053784
• Mol file: 2886-59-1.mol

Synonyms:1-Methoxycyclohexa-1,4-diene;2886-59-1;1-Methoxy-1,4-cyclohexadiene;1,4-Cyclohexadiene, 1-methoxy-;1-methoxy-cyclohexa-1,4-diene;EINECS 220-747-8;2,5-Dihydroanisole;SCHEMBL3015822;1-methoxy-1, 4-cyclohexadiene;DTXSID70183056;1-Methoxycyclohexa-1,4-diene, tech;MFCD00001536;AKOS015912975;1,4-Cyclohexadien-1-yl methyl ether #;A5438;CS-0204293;Q-102010;1-Methoxy-1,4-cyclohexadiene, technical grade, 85%

Chemical Property of 1-Methoxycyclohexa-1,4-diene

Chemical Property:

• Vapor Pressure: 1.94mmHg at 25°C
• Refractive Index: n20/D 1.475(lit.)
• Boiling Point: 170.5°Cat760mmHg
• Flash Point: 48°C
• PSA: 9.23000
• Density: 0.93g/cm³
• LogP: 1.86670
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 110.073164938
• Heavy Atom Count: 8
• Complexity: 122

Purity/Quality:

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

1-Methoxycyclohexa-1,4-diene ^*data from reagent suppliers

Safty Information:

• Statements: 10
• Safety Statements: 16

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: COC1=CCC=CC1
• Uses: 1-Methoxycyclohexa-1,4-diene is used in process for preparation of Ruthenium(0) Arene α-Diimine complexes as precursors for vapor and solution deposition of Ruthenium films.

Technology Process of 1-Methoxycyclohexa-1,4-diene

There total 17 articles about 1-Methoxycyclohexa-1,4-diene 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%

methoxybenzene (100-66-3) → 1-methoxycyclohexa-1,4-diene (2886-59-1)

Guidance literature:

With ammonia; sodium; In ethanol; for 0.5h;

DOI:10.1016/S0040-4020(01)86976-3

Reference yield: 92.5%

ethanol (64-17-5) + 1-methoxy-1,3-cyclohexadiene (2161-90-2) + lithium (7439-93-2) → 1-methoxycyclohexa-1,4-diene (2886-59-1)

Guidance literature:

With sodium; In ammonia; water; methoxybenzene;

Reference yield:

methoxybenzene (100-66-3) → 1-methoxy-1,3-cyclohexadiene (2161-90-2) + 1-methoxycyclohexa-1,4-diene (2886-59-1)

Guidance literature:

With propylamine; lithium; tert-butyl alcohol; In ethylenediamine; at -18 - -5 ℃; for 2h;

DOI:10.1021/jo0008136

upstream raw materials:

1,2-dimethoxybenzene

1,2-dimethoxy-cyclohexa-1,4-diene

methoxybenzene

2-methoxy-1,3-cyclohexadiene

Downstream raw materials:

4,4,5-Trimethoxycyclohexen

dimethyl ketal of cyclohexa-3-enone

3-cyclohexen-1-ol

methyl 2-methoxy-6-tridecyl benzoate

Refernces

• 1、 -. "Reduction method of electronic salt reaction liquid and unsaturated aromatic hydrocarbon compound". Paragraph 0080-0083. . Retrieved 2021/11/10.
• 2、 Griesbeck, Axel G.,Goldfuss, Bernd,Leven, Matthias,De Kiff, Alan. "Comparison of the singlet oxygen ene reactions of cyclic versus acyclic β,γ-unsaturated ketones: An experimental and computational study Dedicated to Professor Waldemar Adam on the occasion of his 75th birthday". supporting information. p. 2938 - 2941. Retrieved 2013/06/27.