1,3-Dicyclohexylbenzene

Base Information

• Chemical Name: 1,3-Dicyclohexylbenzene
• CAS No.: 4016-06-2
• Molecular Formula: C18H26
• Molecular Weight: 242.404
• Hs Code.: 2902909090
• UNII: DV323W0TSX
• DSSTox Substance ID: DTXSID20505042
• Nikkaji Number: J22.335B
• Wikidata: Q27276614
• Mol file: 4016-06-2.mol

Synonyms:1,3-Dicyclohexylbenzene;m-Dicyclohexylbenzene;4016-06-2;DV323W0TSX;Benzene, 1,3-dicyclohexyl-;starbld0025063;UNII-DV323W0TSX;DTXSID20505042;AKOS040752968;F87945;Q27276614;1~1~,1~2~,1~3~,1~4~,1~5~,1~6~,3~1~,3~2~,3~3~,3~4~,3~5~,3~6~-Dodecahydro-1~1~,2~1~:2~3~,3~1~-terphenyl

Chemical Property of 1,3-Dicyclohexylbenzene

Chemical Property:

• PSA: 0.00000
• LogP: 5.78200
• XLogP3: 7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 242.203450829
• Heavy Atom Count: 18
• Complexity: 208

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(CC1)C2=CC(=CC=C2)C3CCCCC3

Technology Process of 1,3-Dicyclohexylbenzene

There total 20 articles about 1,3-Dicyclohexylbenzene 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:

perhydro-meta-terphenyl (1706-50-9) → 1,3-diphenylbenzene (92-06-8) + 1,3-dicyclohexylbenzene (4016-06-2) + 1,3-diphenyl-cyclohexane (1667-08-9) + 3-cyclohexyl-1,1'-biphenyl (1973-15-5) + hydrogen (1333-74-0)

Guidance literature:

With platinum on carbon; at 90 - 95 ℃; for 25h; Time; Flow reactor;

DOI:10.1134/S0036024415010100

Reference yield:

cyclohexene (110-83-8) + benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1) → 1,4-dicyclohexyl-benzene (1087-02-1) + 1,3-dicyclohexylbenzene (4016-06-2) + 1-phenyl-1-cyclohexane (827-52-1,5379-26-0)

Guidance literature:

With Et₃NH[Al₂Cl₇]; at 20 ℃; for 8h; Temperature; Time; Inert atmosphere;

DOI:10.1134/S107036321911001X

Reference yield:

cyclohexene (110-83-8) + benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1) → 1,3-dicyclohexylbenzene (4016-06-2) + 1-phenyl-1-cyclohexane (827-52-1,5379-26-0)

Guidance literature:

MCM-22/alumina; at 130 ℃; for 45.6h; under 111433 Torr; Product distribution / selectivity;

upstream raw materials:

1-(3-Cyclohexyl-phenyl)-cyclohexen-⁽¹⁾

cyclohexylmagnesium bromide

1,3-Dichlorobenzene

2(R^*),6(S^*)-di(1-cyclohexen-1-yl)cyclohexen-1(s^*)-ol

Downstream raw materials:

(3-Amino-phenyl)-(2,4-dicyclohexyl-phenyl)-methanone

Refernces

• 1、 Kalenchuk,Bogdan,Kustov. "Using ceramic membranes for the separation of hydrogen produced by dehydrogenation of perhydro-m-terphenyl". . p. 16 - 18. Retrieved 2015/02/19.
• 2、 Giannangeli, M.,Baiocchi, L.. "AROMATIZATION OF ALIPHATIC COMPOUNDS - V. m-DIALKIYL-BENZENES AND 2-BENZYL-NAPHTALENES". . p. 1381 - 1384. Retrieved 2007/10/02.