1-Tetradecene - ≥95% , CAS No.1120-36-1

CAS: 1120-36-1 Cat. No.: T103623 Formula: C₁₄H₂₈ Molecular Weight: 196.37 Beilstein Registry Number: 1701156 EC Number: 214-306-9

GRADE & PURITY ≥95%

Synonyms

CAS-1120-36-1 | NCGC00164372-01 | CHEBI:77505 | LMFA11000329 | NCGC00257042-01 | alpha-Tetradecene | DTXCID907367 | Alkenes, C10-16 .alpha.- | J-002695 | 1-TETRADECENE | Tetradecene | 1-TETRADECENE [HSDB] | a-Tetradecene | FT-0608312 | Neodene 14 | aplha-

Storage

Argon charged,Room temperature

Shipped In

Normal

Overview

1-Tetradecene can be used as a reactant to synthesize:
2-Tetradecanone via PdCl2/CrO3 catalyzed oxidation reaction.[
(E)-ethyl pentadec-2-enoate, which is used as a key intermediate in the diastereoselective synthesis of (+)-nephrosterinic acid and (+)-protolichesterinic acid via Johnson-Claisen rearrangement.
It can also be used as a monomer unit to synthesize high molecular weight polymer [poly(1- tetradecene)] by titanium complex catalyzed polymerization reaction.

Specifications

Synonyms

CAS-1120-36-1 | NCGC00164372-01 | CHEBI:77505 | LMFA11000329 | NCGC00257042-01 | alpha-Tetradecene | DTXCID907367 | Alkenes, C10-16 .alpha.- | J-002695 | 1-TETRADECENE | Tetradecene | 1-TETRADECENE [HSDB] | a-Tetradecene | FT-0608312 | Neodene 14 | aplha-

Specifications & Purity

≥95%

Storage

Argon charged,Room temperature

Shipped In

Normal

Purity

≥95%

Names and Identifiers

Pubchem Sid

508807297

Canonical Smiles

CCCCCCCCCCCCC=C

IUPAC Name

tetradec-1-ene

InChIKey

HFDVRLIODXPAHB-UHFFFAOYSA-N

INCHI

1S/C14H28/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h3H,1,4-14H2,2H3

Isomeric SMILES

CCCCCCCCCCCCC=C

WGK Germany

3

Molecular Weight

196.37

Beilstein

1701156

Reaxy-Rn

1701156

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Hydrocarbons
    • Class Unsaturated hydrocarbons
      • Subclass Unsaturated aliphatic hydrocarbons

• Kingdom: Organic compounds
• Superclass: Hydrocarbons
• Class: Unsaturated hydrocarbons
• Subclass: Unsaturated aliphatic hydrocarbons
• Intermediate Tree Nodes: Not available
• Direct Parent: Unsaturated aliphatic hydrocarbons
• Alternative Parents: Alkenes
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Unsaturated aliphatic hydrocarbon - Olefin - Alkene - Acyclic olefin - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as unsaturated aliphatic hydrocarbons. These are aliphatic Hydrocarbons that contains one or more unsaturated carbon atoms. These compounds contain one or more double or triple bonds.
• External Descriptors: Hydrocarbons

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

THRB Tclin Thyroid hormone receptor beta-1 (7926 Activities)

Discover Target: THRB

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

NR1H4 Tclin Bile acid receptor FXR (6228 Activities)

Discover Target: NR1H4

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

NFKB1 Tclin Nuclear factor NF-kappa-B p105 subunit (1459 Activities)

Discover Target: NFKB1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Air sensitive
• Refractive Index: 1.435-1.437
• Flash Point(°F): 239℉
• Flash Point(°C): 115℃
• Boil Point(°C): 251°C
• Melt Point(°C): -13°C
• Molecular Weight: 196.370 g/mol
• XLogP3: 7.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 11
• Exact Mass: 196.219 Da
• Monoisotopic Mass: 196.219 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 105.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1