(E)-4,4-Dimethyl-2-pentene

Base Information

• Chemical Name: (E)-4,4-Dimethyl-2-pentene
• CAS No.: 690-08-4
• Molecular Formula: C7H14
• Molecular Weight: 98.1882
• European Community (EC) Number: 211-714-9
• NSC Number: 74143
• UNII: T6Y948RY8F
• DSSTox Substance ID: DTXSID5075078,DTXSID201015935
• Nikkaji Number: J121.646E,J100.668A
• Wikidata: Q27160263
• Mol file: 690-08-4.mol

Synonyms:(E)-4,4-Dimethyl-2-pentene;690-08-4;trans-4,4-Dimethyl-2-pentene;(E)-4,4-Dimethylpent-2-ene;4,4-Dimethyl-2-pentene;4,4-Dimethyl-trans-2-pentene;2-Pentene, 4,4-dimethyl-, (E)-;2-Pentene, 4,4-dimethyl-;T6Y948RY8F;(2E)-4,4-dimethylpent-2-ene;EINECS 211-714-9;NSC 74143;NSC-74143;CH3CH=CHC(CH3)3;UNII-T6Y948RY8F;DTXSID5075078;CHEBI:88409;(2E)-4,4-Dimethyl-2-pentene;BIDIHFPLDRSAMB-AATRIKPKSA-N;DTXSID201015935;trans-1,1,1-Trimethyl-2-butene;NSC74143;MFCD00026992;2-Pentene, 4,4-dimethyl-, (2E)-;Q27160263

Chemical Property of (E)-4,4-Dimethyl-2-pentene

Chemical Property:

• Vapor Pressure: 110mmHg at 25°C
• Melting Point: -115.23°C
• Refractive Index: 1.3953
• Boiling Point: 76.7°C at 760 mmHg
• PSA: 0.00000
• Density: 0.712g/cm³
• LogP: 2.60860
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 98.109550447
• Heavy Atom Count: 7
• Complexity: 62.6

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Aliphatics, Unsaturated
• Canonical SMILES: CC=CC(C)(C)C
• Isomeric SMILES: C/C=C/C(C)(C)C

Technology Process of (E)-4,4-Dimethyl-2-pentene

There total 34 articles about (E)-4,4-Dimethyl-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: 0.34%

2,2-dimethylpentane (590-35-2) → 3,3-dimethylpentane (562-49-2) + 2-Methylhexane (591-76-4) + (E)-4,4-dimethyl-2-pentene (690-08-4) + 4,4-dimethylpent-1-ene (762-62-9) + 1,1-Dimethylcyclopentane (1638-26-2)

Guidance literature:

platinum; at 329.9 ℃; for 0.0833333h; under 121.7 Torr; Product distribution; Mechanism; hydrogenolysis;

DOI:10.1039/f19827803573

Reference yield:

propene (187737-37-7,13987-01-4,15220-87-8,9003-07-0,676-63-1,25085-53-4) → tert-butylethylene (558-37-2) + butene-2 (107-01-7) + (E)-4,4-dimethyl-2-pentene (690-08-4) + ethene (74-85-1)

Guidance literature:

at 25 ℃; under 499.54 Torr;

DOI:10.1002/chem.200390119

Reference yield:

2,4-dimethyl-2-pentene (625-65-0) → 2,3,4-trimethylpentane (565-75-3) + methane (34557-54-5,27936-85-2) + (E)-4,4-dimethyl-2-pentene (690-08-4) + ethane (74-84-0) + Isobutane (75-28-5,40921-86-6) + 2-Methyl-1-butene (563-46-2)

Guidance literature:

In gas; at 20 ℃; under 5 Torr; Product distribution; Mechanism; Irradiation; gas phase photolysis in the absence of oxygen;

upstream raw materials:

2,2-dimethyl-3-pentanol

4-bromo-2,2-dimethyl-pentane

4.4-Dimethyl-2-pentanol

4-bromo-benzenesulfonic acid-(1,3,3-trimethyl-butyl ester)

Downstream raw materials:

(4S,5S)-5-tert-Butyl-4-methyl-3-phenyl-4,5-dihydro-isoxazole

trans-2-methyl-3-tert-butyl oxirane

(R)-(+)-2,2-dimethyl-3-pentanol

(S)-2,2-dimethyl-pentan-3-ol

Refernces

• 1、 Chahboun, Ghaita,Petrisor, Cristina E.,Gomez-Bengoa, Enrique,Royo, Eva,Cuenca, Tomas. "Insight into cis-to-trans olefin isomerisation catalysed by group 4 and 6 cyclopentadienyl compounds". experimental part. p. 1514 - 1520. Retrieved 2009/07/10.
• 2、 Jeganathan, Suruliappa,Tsukamoto, Masamitsu,Schlosser, Manfred. "Novel ortho-Alkoxy-Substituted Phosphorus Ylides and Their Stereoselectivity in Wittig Reactions". . p. 109 - 111. Retrieved 2007/10/02.