Phenylmethoxycyclododecane

Base Information

• Chemical Name: Phenylmethoxycyclododecane
• CAS No.: 121758-10-9
• Molecular Formula: C19H30O
• Molecular Weight: 274.447
• DSSTox Substance ID: DTXSID50572808
• Nikkaji Number: J1.074.088F
• Wikidata: Q82461301
• Mol file: 121758-10-9.mol

Synonyms:Phenylmethoxycyclododecane;121758-10-9;(BENZYLOXY)CYCLODODECANE;SCHEMBL9131464;DTXSID50572808;YLDPUVRZKGGXDW-UHFFFAOYSA-N

Chemical Property of Phenylmethoxycyclododecane

Chemical Property:

• XLogP3: 6.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 274.229665576
• Heavy Atom Count: 20
• Complexity: 208

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCCCCC(CCCCC1)OCC2=CC=CC=C2

Technology Process of Phenylmethoxycyclododecane

There total 3 articles about Phenylmethoxycyclododecane 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: 93.0%

cyclododecanol (1724-39-6) + benzyl chloride (100-44-7) → (phenylmethoxy)cyclododecane (121758-10-9)

Guidance literature:

With sodium hydride; at 120 - 125 ℃; for 1h;

DOI:10.1021/jo00276a052

Reference yield:

(cyclododecyloxy-phenyl-methylsulfanyl)-diphenyl-silane → cyclododecane (294-62-2) + (phenylmethoxy)cyclododecane (121758-10-9)

Guidance literature:

With 2,2'-azobis(isobutyronitrile); In hexane; toluene; at 110 ℃; for 8h;

Reference yield:

cyclododecyl benzoate (70443-66-2) → (phenylmethoxy)cyclododecane (121758-10-9)

Guidance literature:

Multi-step reaction with 2 steps

1: 83 percent / Lawesson's reagent / xylene / 48 h / Heating

2: 97 percent Chromat_. / Ph₃SnH, Et₃B / toluene; hexane / 0.5 h / Ambient temperature

With Lawessons reagent; triethyl borane; triphenylstannane; In hexane; toluene; xylene;

DOI:10.1016/S0040-4020(98)01156-9

upstream raw materials:

cyclododecanol

benzyl chloride

cyclododecyl benzoate

Downstream raw materials:

cyclododecanol

cyclododecanone

benzaldehyde

benzoic acid