2-Cyclohexyl propanal

Base Information

• Chemical Name: 2-Cyclohexyl propanal
• CAS No.: 2109-22-0
• Deprecated CAS: 97859-57-9
• Molecular Formula: C9H16 O
• Molecular Weight: 140.225
• Hs Code.: 2912299000
• European Community (EC) Number: 412-270-0,801-875-9
• NSC Number: 20771
• DSSTox Substance ID: DTXSID10862833
• Nikkaji Number: J195.952B
• ChEMBL ID: CHEMBL3733263
• Mol file: 2109-22-0.mol

Synonyms:(?à)-2-Cyclohexylpropanal;2-Cyclohexylpropanal;2-Cyclohexylpropionaldehyde;NSC 20771;Pollenal II;a-Methylcyclohexaneacetaldehyde;

Chemical Property of 2-Cyclohexyl propanal

Chemical Property:

• Vapor Pressure: 0.284mmHg at 25°C
• Refractive Index: 1.447
• Boiling Point: 203°Cat760mmHg
• Flash Point: 71.4°C
• PSA: 17.07000
• Density: 0.899g/cm³
• LogP: 2.40170
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 140.120115130
• Heavy Atom Count: 10
• Complexity: 103

Purity/Quality:

99.9% ^*data from raw suppliers

2-CYCLOHEXYL PROPANAL 95.00% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi,N
• Statements: 43-51/53
• Safety Statements: 24-37-61

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C=O)C1CCCCC1
• Uses: 2-Cyclohexylpropanal is used as a reactant in the asymmetric synthesis of α-branched homoallylic aldehydes via Pd/chiral phosphoric acid-catalyzed direct α-allylation of α-branched aldehydes with allylic amines.

Technology Process of 2-Cyclohexyl propanal

There total 30 articles about 2-Cyclohexyl propanal 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%

2-(1-Cyclohexyl-ethyl)-benzo[1,3]dithiole (110166-46-6) → (2-cyclohexylpropanal) (2109-22-0)

Guidance literature:

With tetrafluoroboric acid; mercury(II) oxide; In tetrahydrofuran; for 0.0833333h; Heating;

DOI:10.1055/s-1987-27857

Reference yield: 89.0%

carbon monoxide (201230-82-2) + ethylidenecyclohexane (1003-64-1) → (2-cyclohexylpropanal) (2109-22-0)

Guidance literature:

With dicarbonylacetylacetonato rhodium (I); C₃₇H₅₀NO₄P; hydrogen; In toluene; at 100 ℃; for 12h; under 15001.5 Torr; regioselective reaction; Autoclave;

DOI:10.1021/acs.orglett.9b01639

Reference yield: 85.0%

2-cyclohex-1-enylpropionaldehyde (96929-98-5) → (2-cyclohexylpropanal) (2109-22-0)

Guidance literature:

With hydrogen; palladium on activated charcoal; In tetrahydrofuran; for 15h; under 760 Torr; Ambient temperature;

DOI:10.1021/ja00219a038

upstream raw materials:

2-cyclohexylpropan-1-ol

2-Cyclohexyl-1-methoxy-propan-2-ol

cyclohexanecarbaldehyde

methyl iodide

Downstream raw materials:

(E)-2-Cyclohexyl-6-(toluene-4-sulfinyl)-hex-5-en-3-ol

2-Cyclohexyl-4-(toluene-4-sulfinyl)-hex-5-en-3-ol

(E)-5-cyclohexyl-2-hexene-1,4-diol

(E)-5-cyclohexyl-2-hexene-1,4-diol

Refernces

• 1、 Deng, Tianning,Mazumdar, Wrickban,Yoshinaga, Yuki,Patel, Pooja B.,Malo, Dana,Malo, Tala,Wink, Donald J.,Driver, Tom G.. "Rh2(II)-Catalyzed intermolecular N-Aryl aziridination of olefins using nonactivated N atom precursors". . p. 19149 - 19159. Retrieved 2021/11/23.
• 2、 Su, Yong-Liang,Li, Lu-Lu,Zhou, Xiao-Le,Dai, Zhen-Yao,Wang, Pu-Sheng,Gong, Liu-Zhu. "Asymmetric α-Allylation of Aldehydes with Alkynes by Integrating Chiral Hydridopalladium and Enamine Catalysis". supporting information. p. 2403 - 2406. Retrieved 2018/04/27.