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4-Phenylcyclohexanecarbaldehyde

Base Information Edit
  • Chemical Name:4-Phenylcyclohexanecarbaldehyde
  • CAS No.:126781-72-4
  • Molecular Formula:C13H16O
  • Molecular Weight:188.269
  • Hs Code.:
  • European Community (EC) Number:820-234-4
  • DSSTox Substance ID:DTXSID40573804,DTXSID201287229
  • Nikkaji Number:J1.068.967H
  • Mol file:126781-72-4.mol
4-Phenylcyclohexanecarbaldehyde

Synonyms:1466-74-6;4-Phenylcyclohexanecarbaldehyde;4-Phenylcyclohexanecarboxaldehyde;4-PHENYLCYCLOHEXANE-1-CARBALDEHYDE;Cyclohexanecarboxaldehyde, 4-phenyl-;SCHEMBL5913558;SCHEMBL10386998;SCHEMBL17729975;SCHEMBL17752197;DTXSID40573804;IMLXMWDBBUJWOV-BJHJDKERSA-N;IMLXMWDBBUJWOV-UHFFFAOYSA-N;DTXSID201287229;cis-4-Phenylcyclohexanecarboxaldehyde;MFCD06410876;AKOS006292051;cis-4-phenylcyclohexane-1-carbaldehyde;AB25048;AC-13683;SY167404;CS-0446734;EN300-197547;J-008243;Z1198168797;126781-72-4

Suppliers and Price of 4-Phenylcyclohexanecarbaldehyde
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The product has achieved commercial mass production*data from LookChem market partment
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Chemical Property of 4-Phenylcyclohexanecarbaldehyde Edit
Chemical Property:
  • XLogP3:3
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:1
  • Rotatable Bond Count:2
  • Exact Mass:188.120115130
  • Heavy Atom Count:14
  • Complexity:174
Purity/Quality:
Safty Information:
  • Pictogram(s):  
  • Hazard Codes: 
MSDS Files:
Useful:
  • Canonical SMILES:C1CC(CCC1C=O)C2=CC=CC=C2
Technology Process of 4-Phenylcyclohexanecarbaldehyde

There total 3 articles about 4-Phenylcyclohexanecarbaldehyde 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:
Guidance literature:
With hydrogenchloride; In tetrahydrofuran; water; at 20 ℃; for 2h; Inert atmosphere;
DOI:10.1021/jacs.7b09901
Guidance literature:
(methoxymethyl)triphenylphosphonium chloride; With n-butyllithium; In tetrahydrofuran; hexane; at 0 ℃; Inert atmosphere;
1-phenyl-4-cyclohexanone; In tetrahydrofuran; hexane; at 0 - 20 ℃; Inert atmosphere;
With hydrogenchloride; In tetrahydrofuran; water; at 90 ℃; Overall yield = 73 %; Overall yield = 685 mg; Optical yield = 30 %de; Inert atmosphere;
DOI:10.1021/ja406028c
Guidance literature:
Multi-step reaction with 2 steps
1.1: n-butyllithium / tetrahydrofuran / 0.5 h / -78 °C / Inert atmosphere
1.2: 21 h / -78 - 20 °C / Inert atmosphere
2.1: hydrogenchloride / tetrahydrofuran; water / 2 h / 20 °C / Inert atmosphere
With hydrogenchloride; n-butyllithium; In tetrahydrofuran; water;
DOI:10.1021/jacs.7b09901
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