(E)-3,4-Dimethylhex-3-ene

Base Information

• Chemical Name: (E)-3,4-Dimethylhex-3-ene
• CAS No.: 30951-95-2
• Molecular Formula: C8H16
• Molecular Weight: 112.215
• European Community (EC) Number: 243-158-8,250-404-8
• DSSTox Substance ID: DTXSID7067582,DTXSID301311807
• Nikkaji Number: J287.415F,J242.848B
• Wikidata: Q76149668
• Mol file: 30951-95-2.mol

Synonyms:(3E)-3,4-Dimethyl-3-hexene;(E)-3,4-Dimethylhex-3-ene;19550-88-0;3,4-Dimethyl-3-hexene;3,4-Dimethylhex-3-ene;3-Hexene, 3,4-dimethyl-;30951-95-2;3,4-Dimethylhexene-3;EINECS 243-158-8;(E)-3,4-Dimethyl-3-hexene;EINECS 250-404-8;3-Hexene, 3,4-dimethyl-, (E)-;(E)-3,4-Dimethyl-3-hexen;DTXSID7067582;(E)-3,4-dimethyl-hex-3-ene;XTUXVDJHGIEBAA-BQYQJAHWSA-N;DTXSID301311807;(3E)-3,4-Dimethyl-3-hexene #;AKOS006272962

Chemical Property of (E)-3,4-Dimethylhex-3-ene

Chemical Property:

• Vapor Pressure: 17.1mmHg at 25°C
• Boiling Point: 122°Cat760mmHg
• Flash Point: 15.6°C
• PSA: 0.00000
• Density: 0.729g/cm³
• LogP: 3.14280
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 112.125200510
• Heavy Atom Count: 8
• Complexity: 76.2

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(=C(C)CC)C
• Isomeric SMILES: CC/C(=C(\C)/CC)/C

Technology Process of (E)-3,4-Dimethylhex-3-ene

There total 28 articles about (E)-3,4-Dimethylhex-3-ene 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%

acetic anhydride (108-24-7) + iron (7439-89-6) + acetic acid (64-19-7,77671-22-8) → iron(II) acetate (1834-30-6,2140-52-5,3094-87-9)

Guidance literature:

In acetic anhydride; acetic acid; byproducts: H2; Schlenk technique, under Ar; acetic acid and acetic anhydride heated to reflux, reacted with Fe (54 mmol) at boiling for 4 h; B. Heyn et al., Anorganische Syntesechemie, V.2, Springer, Heildeberg, 1986; ppt. filtered off, washed with Et2O, dried in vac.; elem. anal.;

DOI:10.1002/zaac.201000274

Reference yield: 77.0%

iron pentacarbonyl (13463-40-6,37220-42-1) → iron(II) acetate (1834-30-6,2140-52-5,3094-87-9)

Guidance literature:

With acetic acid; acetic anhydride; In N,N-dimethyl-formamide; N2-atmosphere; filtration of Fe(CO)5 into soln. of HOAc and acetic anhydride, heating to 80°C, then to 115 -120°C 60 h; crystn., filtration, washing (benzene), drying (vac., over H2SO4 and CaCl2); elem. anal.;

DOI:10.1039/DT9770001420

Reference yield: 65.0%

iron (7439-89-6) + acetic acid (64-19-7,77671-22-8) → iron(II) acetate (1834-30-6,2140-52-5,3094-87-9)

Guidance literature:

With hydrogenchloride; In water; at 20 ℃; for 2h; Inert atmosphere; Schlenk technique;

DOI:10.1002/chem.201803501

upstream raw materials:

(+/-)-3,4-dimethyl-3,4-dinitrohexane

butanone

2,2-dimethoxybutane

trichlorofluoromethane

Refernces

• 1、 Pai, Sandesh,Schott, Marco,Niklaus, Lukas,Posset, Uwe,Kurth, Dirk G.. "A study of the effect of pyridine linkers on the viscosity and electrochromic properties of metallo-supramolecular coordination polymers". . p. 3310 - 3321. Retrieved 2018/04/05.
• 2、 Pai, Sandesh,Moos, Michael,Schreck, Maximilian H.,Lambert, Christoph,Kurth, Dirk G.. "Green-to-Red Electrochromic Fe(II) Metallo-Supramolecular Polyelectrolytes Self-Assembled from Fluorescent 2,6-Bis(2-pyridyl)pyrimidine Bithiophene". . p. 1418 - 1432. Retrieved 2017/02/15.