trans-4-Octene

Base Information

• Chemical Name: trans-4-Octene
• CAS No.: 14850-23-8
• Molecular Formula: C8H16
• Molecular Weight: 112.215
• Hs Code.: 2901299090
• European Community (EC) Number: 209-780-9,238-913-3
• NSC Number: 73940
• UNII: FKZ5737B1W
• DSSTox Substance ID: DTXSID10872997
• Nikkaji Number: J87.934G,J87.935E
• Wikidata: Q27278041
• Mol file: 14850-23-8.mol

Synonyms:trans-4-Octene;14850-23-8;(E)-4-Octene;(E)-oct-4-ene;4-OCTENE;4-Octene, (E)-;4-Octene, (4E)-;trans-n-4-Octene;592-99-4;(4E)-4-Octene;Trane-4-octene;trans-Oct-4-ene;Oct-4-ene;n-trans-4-Octene;UNII-FKZ5737B1W;UNII-68K818W2ZC;FKZ5737B1W;EINECS 209-780-9;EINECS 238-913-3;NSC 73940;NSC-73940;MFCD00009476;trans-4-Octene, 98%;o-Ethoxyphenylurea;NSC73940;4-OCTENE, TRANS-;.DELTA.-TRANS-OCTENE;DTXSID10872997;68K818W2ZC;AKOS037621395;(E)-4-C8H16;trans-4-Octene, technical grade, >=90%;O0136;J-008477;Q27278041

Chemical Property of trans-4-Octene

Chemical Property:

• Melting Point: -93.78°C
• Refractive Index: n20/D 1.412(lit.)
• Boiling Point: 120.9°Cat760mmHg
• Flash Point: 21.1°C
• PSA: 0.00000
• Density: 0.727g/cm³
• LogP: 3.14280
• Storage Temp.: 2-8°C
• Solubility.: water: insoluble
• Water Solubility.: Sparingly soluble in water(10.7, mg/L).
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 4
• Exact Mass: 112.125200510
• Heavy Atom Count: 8
• Complexity: 45.1

Purity/Quality:

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

trans-4-Octene ^*data from reagent suppliers

Safty Information:

• Hazard Codes: F,Xn
• Statements: 11-65
• Safety Statements: 16-62

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Aliphatics, Unsaturated
• Canonical SMILES: CCCC=CCCC
• Isomeric SMILES: CCC/C=C/CCC
• Uses: It is used in pharmaceutical research.

Technology Process of trans-4-Octene

There total 173 articles about trans-4-Octene 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: 96.0%

octane (111-65-9) + (Phebox)Ir(OAc)2(OH2) (929896-31-1) → trans-4-Octene (14850-23-8) + cis-3-octene (14850-22-7) + (E)-3-octene (14919-01-8) + cis-2-octene (7642-04-8) + trans-2-Octene (13389-42-9) + [(2,6-bis(4,4-dimethyloxazolinyl)-3,5-dimethylphenyl)Ir(OAc)H] (1423875-77-7)

Guidance literature:

at 200 ℃; for 72h; Inert atmosphere;

DOI:10.1021/om301267c

Reference yield: 95.0%

oct-1-ene (111-66-0,25068-25-1) → trans-4-Octene (14850-23-8) + (E)-3-octene (14919-01-8) + cis-2-octene (7642-04-8) + trans-2-Octene (13389-42-9)

Guidance literature:

With tetramethyldialuminoxane; [TiCl₂{N(PPh₂)2}]; In tetrahydrofuran-d8; at 80 ℃; Further Variations:; Catalysts; Reaction partners; Product distribution;

DOI:10.1016/S0022-328X(00)00214-X

Reference yield: 60.41%

1-methoxyoctane (929-56-6) → methanol (67-56-1) + trans-4-Octene (14850-23-8) + oct-3-ene (14850-22-7,14919-01-8,138663-42-0,592-98-3) + cis-2-octene (7642-04-8) + trans-2-Octene (13389-42-9) + Dimethyl ether (115-10-6,157621-61-9) + oct-1-ene (111-66-0,25068-25-1) + (Z)-oct-4-ene (7642-15-1)

Guidance literature:

at 350 ℃; under 750.075 Torr; Product distribution / selectivity; Gas phase;

upstream raw materials:

octan-4-ol

ethyl bromide

ethyllithium

buta-1,3-diene

Downstream raw materials:

Oct-4-en-ozonid

1-penten

4-pent-1-enyl-cyclohexene

4-bromooctane

Refernces

• 1、 Miyaura,N. et al.. "-". . p. 669 - 670. Retrieved 1975.
• 2、 Conley, Matthew P.,Forrest, William P.,Mougel, Victor,Copret, Christophe,Schrock, Richard R.. "Bulky aryloxide ligand stabilizes a heterogeneous metathesis catalyst". . p. 14221 - 14224. Retrieved 2014.
• 3、 Hsu, Margaret C.,Junia, Adam J.,Haight, Anthony R.,Zhang, Weijiang. "Synthesis of erythromycin derivatives via the olefin cross-metathesis reaction". . p. 3907 - 3911. Retrieved 2004.
• 4、 Gano,Srebnik. "Photochemistry of trivinylboranes: Preparation of anti-adducts of hydroboranes and alkynes". . p. 4889 - 4892. Retrieved 1993.
• 5、 Nater, Darryl F.,Paul, Bhaskar,L?tsch, Lukas,Schrock, Richard R.,Copéret, Christophe. "Increasing Olefin Metathesis Activity of Silica-Supported Molybdenum Imido Adamantylidene Complexes through E Ligand σ-Donation". . . Retrieved 2021.
• 6、 Hudrlik, Paul F.,Hudrlik Anne M.,Misra, Raj N.,Peterson, David,Withers, Gregory P.,Kulkarni, Ashok K.. "Reactions of α,β-Epoxysilanes with Grignard Reagents. Generation and Trapping of α-Trimethylsilyl Aldehydes and Ketones". . p. 4444 - 4448. Retrieved 1980.
• 7、 Sánchez-Resa, Daniel,Delgado, Jorge A.,Fernández-Martínez, Maria Dolores,Didelot, Chloé,De Mallmann, Aimery,Szeto, Ka? C.,Taoufik, Mostafa,Claver, Carmen,Godard, Cyril. "Pd, Cu and Bimetallic PdCu NPs Supported on CNTs and Phosphine-Functionalized Silica: One-Pot Preparation, Characterization and Testing in the Semi-Hydrogenation of Alkynes". supporting information. p. 4970 - 4978. Retrieved 2021/11/10.
• 8、 De Jesus Silva, Jordan,Pucino, Margherita,Zhai, Feng,Mance, Deni,Berkson, Zachariah J.,Nater, Darryl F.,Hoveyda, Amir H.,Copéret, Christophe,Schrock, Richard R.. "Boosting the Metathesis Activity of Molybdenum Oxo Alkylidenes by Tuning the Anionic Ligand σ Donation". supporting information. p. 6875 - 6880. Retrieved 2021/02/06.