4-Phenylcyclohexanecarbaldehyde

Base Information

• Chemical Name: 4-Phenylcyclohexanecarbaldehyde
• CAS No.: 1466-74-6
• Molecular Formula: C13H16 O
• Molecular Weight: 188.269
• Hs Code.: 2912299000
• European Community (EC) Number: 820-234-4
• DSSTox Substance ID: DTXSID40573804,DTXSID201287229
• Nikkaji Number: J1.068.967H
• Mol file: 1466-74-6.mol

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

Chemical Property of 4-Phenylcyclohexanecarbaldehyde

Chemical Property:

• Vapor Pressure: 0.00134mmHg at 25°C
• Refractive Index: 1.576
• Boiling Point: 297.6°Cat760mmHg
• Flash Point: 105.5°C
• PSA: 17.07000
• Density: 1.062g/cm³
• LogP: 3.15930
• Storage Temp.: Inert atmosphere,Store in freezer, under -20°C
• 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:

97% ^*data from raw suppliers

4-phenylcyclohexane-1-carbaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(CCC1C=O)C2=CC=CC=C2

Technology Process of 4-Phenylcyclohexanecarbaldehyde

There total 5 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:

Reference yield: 90.0%

N-methoxy-N-methyl-4-phenylcyclohexanecarboxamide (697306-44-8) → 4‐phenylcyclohexan‐1‐carbaldehyde (1466-74-6)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; at 0 ℃; for 2h;

Reference yield: 87.0%

2-(4-phenyl-cyclohexyl)-[1,3]dioxolane → 4‐phenylcyclohexan‐1‐carbaldehyde (1466-74-6)

Guidance literature:

With K5; In acetone; for 0.5h; Heating;

DOI:10.1016/S0040-4039(01)01379-X

Reference yield: 29.52%

[4-(methoxymethylidene)cyclohexyl]benzene (701232-23-7) → 4‐phenylcyclohexan‐1‐carbaldehyde (1466-74-6)

Guidance literature:

With hydrogenchloride; In tetrahydrofuran; at 80 ℃; for 60h;

upstream raw materials:

N-methoxy-N-methyl-4-phenylcyclohexanecarboxamide

[4-(methoxymethylidene)cyclohexyl]benzene

1-phenyl-4-cyclohexanone

Downstream raw materials:

(2R,3S)-N-{3-[(dimethylamino)methyl]phenyl}-3-(1H-indol-3-yl)-2-{[(4-phenylcyclohexyl)methyl]amino}butanamide

2-(4-phenylcyclohexylidene)-1,3-dithiane 1-oxide

((1r,4r)-4-phenylcyclohexyl)methanol

C₂₀H₂₇BrO₃