3-Ethyl-2-pentene

Base Information

• Chemical Name: 3-Ethyl-2-pentene
• CAS No.: 816-79-5
• Molecular Formula: C7H14
• Molecular Weight: 98.1882
• European Community (EC) Number: 212-438-1
• NSC Number: 74144
• UNII: MZR8TM946I
• DSSTox Substance ID: DTXSID6061159
• Nikkaji Number: J100.677K
• Mol file: 816-79-5.mol

Synonyms:3-ETHYL-2-PENTENE;816-79-5;3-Ethylpent-2-ene;2-Pentene, 3-ethyl-;MZR8TM946I;EINECS 212-438-1;NSC 74144;NSC-74144;3-ethyl-pent-2-ene;1,1-Diethyl-1-propene;UNII-MZR8TM946I;3-Ethyl-2-pentene, 97%;DTXSID6061159;XMYFZAWUNVHVGI-UHFFFAOYSA-;NSC74144;MFCD00027079;AKOS015916309;E0158;D90447

Chemical Property of 3-Ethyl-2-pentene

Chemical Property:

• Vapor Pressure: 56.4mmHg at 25°C
• Melting Point: -124.4°C (estimate)
• Refractive Index: n20/D 1.414(lit.)
• Boiling Point: 93.4 °C at 760 mmHg
• Flash Point: 36 °C
• PSA: 0.00000
• Density: 0.714 g/cm³
• LogP: 2.75270
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 98.109550447
• Heavy Atom Count: 7
• Complexity: 54.4

Purity/Quality:

96% 1H NMR ^*data from raw suppliers

3-Ethyl-2-pentene >98.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F,Xi
• Hazard Codes: F,Xi
• Statements: 11-36/37/38
• Safety Statements: 16-26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Aliphatics, Unsaturated
• Canonical SMILES: CCC(=CC)CC
• Uses: 3-Ethyl-2-pentene may be used in the preparation of:(2E,3R)-2-hydroxy-3,4-dimethyl-N-phenylpent-4-enamide3-ethyl-1-pentene5-ethyl-2,4-dimethyl-4-hepten-3-one

Technology Process of 3-Ethyl-2-pentene

There total 47 articles about 3-Ethyl-2-pentene 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: 84.0%

3-ethylpentan-3-ol (597-49-9) → 3-ethyl-2-pentene (816-79-5)

Guidance literature:

With hafnium tetrakis(trifluoromethanesulfonate); In neat (no solvent); at 110 ℃; for 0.5h; Reagent/catalyst; Temperature;

DOI:10.1039/c8ra02437e

Reference yield: 11.0%

cyclohexene (110-83-8) → 3-ethyl-2-pentene (816-79-5) + 3-chloro-cyclohexene (2441-97-6) + cyclohex-1-en-4-yl fluoride (2266-53-7) + trans-1-chloro-2-fluorocyclohexane (20421-40-3)

Guidance literature:

With xenon difluoride; hypochlorous acid-(1,1-diethyl-propyl ester); In tetrachloromethane; Further byproducts given;

DOI:10.1016/S0040-4039(00)60891-2

Reference yield: 5.0%

1-Bromoheptane (629-04-9) + triethylcarbinyl bromide (73908-04-0) + trimethylstannane (1631-73-8) → 3-ethylpentane (617-78-7) + n-heptane (142-82-5) + 3-ethyl-2-pentene (816-79-5)

Guidance literature:

With n-butyllithium; In hexane; n-BuLi (0.81 mmol, 0.70 M soln. in hexane) added to mixt. of 1-bromoheptane (0.81 mmol), 3-bromo-3-ethylpentane(0.81 mmol), and TMTH (0.81 mmol) in hexane under Ar, after 15 min of stirring at 0°C quenched with water; analyzed by GC;

DOI:10.1021/om00146a021

upstream raw materials:

3-ethyl-3-chloro-pentane

4-ethyl-2,2,4-trimethyl-hexan-3-ol

1-bromo-4-naphthalenesulfonic acid

3-ethylpentan-3-ol

Downstream raw materials:

Ameisensaeure-(1,1-diaethyl-propylester)

3-ethyl-3-chloro-pentane

3-ethylpentane

4-(triethylmethyl)aniline

Refernces

• 1、 Keskiv?li,Parviainen,Lagerblom,Repo. "Transition metal triflate catalyzed conversion of alcohols, ethers and esters to olefins". . p. 15111 - 15118. Retrieved 2018/05/04.
• 2、 Todd, Alexander D.,Bielawski, Christopher W.. "Graphite oxide activated zeolite NaY: Applications in alcohol dehydration". . p. 135 - 139. Retrieved 2013/03/29.