Allylcyclohexane

Base Information

• Chemical Name: Allylcyclohexane
• CAS No.: 2114-42-3
• Molecular Formula: C9H16
• Molecular Weight: 124.226
• Hs Code.: 2902199090
• European Community (EC) Number: 218-316-4
• NSC Number: 110882
• DSSTox Substance ID: DTXSID40175382
• Nikkaji Number: J101.121I
• Wikidata: Q27160880
• Mol file: 2114-42-3.mol

Synonyms:Allylcyclohexane;2114-42-3;prop-2-enylcyclohexane;Cyclohexane, allyl-;3-Cyclohexyl-1-propene;Cyclohexane, 2-propenyl-;1-Cyclohexyl-2-propene;1-Propene, 3-cyclohexyl-;allyl-cyclohexane;allyl cyclohexane;3-Cyclohexylpropene;NSC110882;Allylcyclohexane, 96%;(2-propenyl)cyclohexane;Allylcyclohexane, >/=97%;(Prop-2-en-1-yl)cyclohexane;CHEBI:88867;KVOZXXSUSRZIKD-UHFFFAOYSA-;DTXSID40175382;CAA11442;EINECS 218-316-4;MFCD00013769;AKOS015907290;NSC 110882;NSC-110882;3-CYCLOHEXYL-1-PROPENE, 97%,;A1201;FT-0613376;D88393;J-013877;Q27160880

Chemical Property of Allylcyclohexane

Chemical Property:

• Vapor Pressure: 4.43mmHg at 25°C
• Melting Point: 330 °C
• Refractive Index: 1.4530
• Boiling Point: 153-154°C
• Flash Point: 31°C
• PSA: 0.00000
• Density: 0,813 g/cm3
• LogP: 3.14280
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 124.125200510
• Heavy Atom Count: 9
• Complexity: 78

Purity/Quality:

98%,99%, ^*data from raw suppliers

Allylcyclohexane ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 11-41-22-10
• Safety Statements: 3/7-9-16-29-33-39-26

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C=CCC1CCCCC1

Technology Process of Allylcyclohexane

There total 48 articles about Allylcyclohexane 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: 88.0%

1-bromocyclohexane (108-85-0) + allyltributylstanane (24850-33-7) → allylcyclohexane (2114-42-3)

Guidance literature:

With 2,2'-azobis(isobutyronitrile); In toluene; at 80 ℃; for 8h;

DOI:10.1021/ja00385a066

Reference yield: 88.0%

1-bromocyclohexane (108-85-0) → allylcyclohexane (2114-42-3)

Guidance literature:

With 2,2'-azobis(isobutyronitrile); In toluene; at 80 ℃;

DOI:10.1016/S0040-4020(01)97185-6

Reference yield: 85.0%

4-allylguaiacol (97-53-0) → allylbenzene (300-57-2,57807-91-7) + allylcyclohexane (2114-42-3)

Guidance literature:

With hydrogen; In water; at 270 ℃; for 3h; under 16501.7 Torr;

DOI:10.1039/c5gc00326a

upstream raw materials:

allyl bromide

cyclohexylmagnesium bromide

propene

cyclohexene

Downstream raw materials:

cyclohexyl-3 epoxy-1,2 propane

4-cyclohexyl-butan-2-one

3-cyclohexylpropanal

propene

Refernces

• 1、 Bernauer, Josef,Wu, Guojiao,Von Wangelin, Axel. "Iron-catalysed allylation-hydrogenation sequences as masked alkyl-alkyl cross-couplings". . p. 31217 - 31223. Retrieved 2019/10/19.
• 2、 Zhu, Dianhu,Lv, Leiyang,Li, Chen-Chen,Ung, Sosthene,Gao, Jian,Li, Chao-Jun. "Umpolung of Carbonyl Groups as Alkyl Organometallic Reagent Surrogates for Palladium-Catalyzed Allylic Alkylation". . p. 16520 - 16524. Retrieved 2018/11/23.