trans-2-Heptene

Base Information

• Chemical Name: trans-2-Heptene
• CAS No.: 14686-13-6
• Molecular Formula: C7H14
• Molecular Weight: 98.1882
• Hs Code.: 29012900
• European Community (EC) Number: 238-727-2,209-768-3
• NSC Number: 74131
• UNII: 41QAT2N2RG
• DSSTox Substance ID: DTXSID0074718,DTXSID70881227
• Nikkaji Number: J95.640F,J100.688F
• Wikidata: Q27162283
• Mol file: 14686-13-6.mol

Synonyms:trans-2-Heptene;14686-13-6;(E)-2-Heptene;(E)-hept-2-ene;2-Heptene, (E)-;(2E)-2-heptene;2-heptene, (2E)-;Heptylene-2, trans-;(2E)-hept-2-ene;trans-Hept-2-ene;2-HEPTENE;592-77-8;EINECS 209-768-3;EINECS 238-727-2;NSC 74131;NSC-74131;trans-2-Heptene, 99%;MFCD00009506;2-Heptene trans;2-Hepteno;Heptylene-2-trans;NSC74131;2-Heptene, trans-;(2E)-2-Heptene #;UNII-ECH654N3CO;41QAT2N2RG;ECH654N3CO;HEPT-2-ENE, TRANS-;DTXSID0074718;CHEBI:90059;DTXSID70881227;STL301895;AKOS015913505;(E)-2-C7H14;J-008275;Q27162283

Chemical Property of trans-2-Heptene

Chemical Property:

• Vapor Pressure: 88 mm Hg ( 37.7 °C)
• Melting Point: -109.48°C
• Refractive Index: n20/D 1.404(lit.)
• Boiling Point: 98.5°Cat760mmHg
• PKA: >14 (Schwarzenbach et al., 1993)
• Flash Point: °C
• PSA: 0.00000
• Density: 0.713g/cm³
• LogP: 2.75270
• Storage Temp.: Flammables area
• Solubility.: Soluble in acetone, alcohol, benzene, chloroform, and ether (Weast, 1986)
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 3
• Exact Mass: 98.109550447
• Heavy Atom Count: 7
• Complexity: 44

Purity/Quality:

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

trans-2-Heptene 99% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: F,Xn
• Statements: 11-36/37/38-65
• Safety Statements: 16-26-36-62

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Aliphatics, Unsaturated,Unsaturated
• Canonical SMILES: CCCCC=CC
• Isomeric SMILES: CCCC/C=C/C
• Physical properties: Clear, colorless liquid with a characteristic odor.
• Uses: Suggested as plant growth retardant.

Technology Process of trans-2-Heptene

There total 54 articles about trans-2-Heptene 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: 28.54%

1-Heptene (592-76-7) → hept-3-ene (592-78-9) + (Z)-hept-2-ene (6443-92-1) + (E)-hept-2-ene (14686-13-6)

Guidance literature:

With phosphotungstic acid; at 80 ℃; Irradiation;

Reference yield:

Octanoic acid (124-07-2) → 1-Heptene (592-76-7) + heptanal (111-71-7) + trans-3-heptene (14686-14-7) + (E)-hept-2-ene (14686-13-6) + n-heptane (142-82-5) + n-heptan1ol (111-70-6) + tetradecane (629-59-4) + 2-heptyl octanoate (4265-97-8)

Guidance literature:

With water; potassium hydroxide; at 20 ℃; Catalytic behavior; Electrolysis;

DOI:10.1002/cctc.201901443

Reference yield:

2-heptylamine (123-82-0) → 1-Heptene (592-76-7) + hept-3-ene (592-78-9) + (Z)-hept-2-ene (6443-92-1) + (E)-hept-2-ene (14686-13-6)

Guidance literature:

With 5,6,8,9-tetrahydro-7-phenyldibenzoxanthenylium tetrafluoroborate; In dichloromethane; at 20 ℃; for 24h; Mechanism; Product distribution; further secondary alkyl primary amines;

upstream raw materials:

(E/Z)-crotyl bromide

n-propylmagnesium bromide

1-Heptene

methyl magnesium iodide

Downstream raw materials:

n-pentyl methyl ketone

(Z)-hept-2-ene

n-heptane

2,3-epoxyheptane

Refernces

• 1、 Royals. "-". . p. 1822. Retrieved 1958.
• 2、 Strohmeier,Rehder-Stirnweiss. "". . p. C27. Retrieved 1970.
• 3、 Braun, Thomas,Mei?ner, Gisa,Rachor, Simon G.,Talavera, Maria. "C-F activation reactions at germylium ions: Dehydrofluorination of fluoralkanes". supporting information. p. 4452 - 4455. Retrieved 2020/05/13.
• 4、 Paulson, Erik R.,Moore, Curtis E.,Rheingold, Arnold L.,Pullman, David P.,Sindewald, Ryan W.,Cooksy, Andrew L.,Grotjahn, Douglas B.. "Dynamic ?-Bonding of Imidazolyl Substituent in a Formally 16-Electron Cp Ru(2-P, N)+ Catalyst Allows Dramatic Rate Increases in (E)-Selective Monoisomerization of Alkenes". . p. 7217 - 7231. Retrieved 2019/08/27.