CID 12860964

Base Information

• Chemical Name: CID 12860964
• CAS No.: 18523-34-7
• Molecular Formula: C11H14O2
• Molecular Weight: 178.231
• DSSTox Substance ID: DTXSID001299094
• Nikkaji Number: J1.026.522C
• Mol file: 18523-34-7.mol

Synonyms:18523-34-7;(2,2-Dimethoxycyclopropyl)benzene;DTXSID001299094

Chemical Property of CID 12860964

Chemical Property:

• Vapor Pressure: 0.083mmHg at 25°C
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 178.099379685
• Heavy Atom Count: 13
• Complexity: 169

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC1(CC1C2=CC=CC=C2)OC

Technology Process of CID 12860964

There total 12 articles about CID 12860964 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: 77.0%

methanol (67-56-1) + 1,1-dibromo-2-phenylcyclopropane (3234-51-3) → 1,1-dimethoxy-2-phenylcyclopropane (18523-34-7)

Guidance literature:

With potassium tert-butylate; In dimethyl sulfoxide; for 24h;

Reference yield: 38.0%

methanol (67-56-1) + 1,1-dichloro-2-phenylcyclopropane (2415-80-7) + thiophenol (108-98-5) → 1,1-dimethoxy-2-phenylcyclopropane (18523-34-7) + trans-1-phenylthio-1-methoxy-2-phenylcyclopropane (81676-48-4,81676-50-8) + cis-1-phenylthio-1-methoxy-2-phenylcyclopropane (81676-48-4,81676-50-8)

Guidance literature:

With potassium tert-butylate; Yield given. Multistep reaction; 1.) THF, 20 min. 2.) 50 min. 3.)10 min.;

Reference yield: 27.0%

methanol (67-56-1) + 1,1-dichloro-2-phenylcyclopropane (2415-80-7) + isopropyl alcohol (67-63-0,8013-70-5) → 1,1-dimethoxy-2-phenylcyclopropane (18523-34-7) + trans-1-isopropoxy-1-methoxy-2-phenylcyclopropane (81676-49-5,81676-51-9) + cis-1-isopropoxy-1-methoxy-2-phenylcyclopropane (81676-49-5,81676-51-9)

Guidance literature:

With potassium tert-butylate; Yield given. Multistep reaction. Title compound not separated from byproducts; 1.) THF, 20 min. 2.) 50 min. 3.) 55 deg C, 5 h.;

upstream raw materials:

styrene

1,2,3,4-tetrachloro-5-phenyl-7,7-dimethoxybicyclo<2.2.1>hepta-2,5-diene

methanol

1,1-dichloro-2-phenylcyclopropane

Downstream raw materials:

methyl 3-(acetyloxy)-3-phenylpropanoate

Methyl cinnamate

(E)-methyl 2-nitrocinnamate

p-nitrocinnamic acid methyl ester

Refernces

• 1、 Kostikov,Varakin,Molchanov,Ogloblin. "Reactions of gem-Dihalophenylcyclopropanes with Nucleophilic Agents: Formation of Phenylcyclopropanone and 2-Phenylpropenal Acetals". . p. 25 - 30. Retrieved 2007/10/03.
• 2、 Crossland, Ingolf. "A Novel Alkoxycyclopropene Ring-Opening Reaction". . p. 310 - 312. Retrieved 2007/10/02.