1,4-Dichloro-2-butene

Base Information

• Chemical Name: 1,4-Dichloro-2-butene
• CAS No.: 764-41-0
• Molecular Formula: C4H6Cl2
• Molecular Weight: 124.998
• European Community (EC) Number: 212-121-8
• UN Number: 2920
• DSSTox Substance ID: DTXSID9027310
• Wikipedia: 1,4-Dichlorobut-2-ene
• ChEMBL ID: CHEMBL3182125
• Mol file: 764-41-0.mol

Synonyms:1,4-dichloro-2-butene;1,4-dichloro-2-butene, (E)-isomer;1,4-dichloro-2-butene, (Z)-isomer

Chemical Property of 1,4-Dichloro-2-butene

Chemical Property:

• Appearance/Colour: clear colorless liquid. Burns, though may be difficult to ignite
• Vapor Pressure: 10 mm Hg ( 20 °C)
• Melting Point: 1-3 °C
• Refractive Index: n20/D 1.488(lit.)
• Boiling Point: 155.5 °C at 760 mmHg
• Flash Point: 54.4 °C
• PSA: 0.00000
• Density: 1.126 g/cm³
• LogP: 2.02020
• Storage Temp.: 2-8°C
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 123.9846556
• Heavy Atom Count: 6
• Complexity: 34.8
• Transport DOT Label: Corrosive Flammable Liquid

Purity/Quality:

90%,98% ^*data from raw suppliers

Safty Information:

• Pictogram(s): N
• Hazard Codes: T+,N
• Statements: 10-21-25-26-34-50/53-24/25-45
• Safety Statements: 53-23-26-36/37/39-45-61-60-99

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Halogenated Aliphatics, Unsaturated
• Canonical SMILES: C(C=CCCl)Cl
• Uses: 1,?4-?Dichloro-?2-?butene is an organic reagent used in the preparation of heterocyclic compounds. Used in the synthesis of γ-turn peptidomimetic scaffold neuroprotectives as a JNK3 allosteric ligand.Environmental toxin on US EPA Toxic Release Inventory list (TRI) list.

Technology Process of 1,4-Dichloro-2-butene

There total 16 articles about 1,4-Dichloro-2-butene 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: 87.0%

1,4-butenediol (821-11-4,6117-80-2,110-64-5) → 1,4-dichloro-2-butene (764-41-0)

Guidance literature:

With thionyl chloride;

DOI:10.1016/j.tetlet.2009.03.051

Reference yield:

buta-1,3-diene (106-99-0,130983-70-9,29406-96-0,9003-17-2) → 1,4-dichloro-2-butene (764-41-0) + meso-1,2,3,4-tetrachlorobutane (28507-96-2) + racem.-1,2,3,4-Tetrachlorbutan (3405-32-1,28507-96-2,52134-24-4) + 3,4-dichlorobut-1-ene (310447-99-5,310448-01-2,64037-54-3) + 1-chloro-1E,3-butadiene (16503-25-6) + chloroprene (126-99-8,14523-89-8,9010-98-4)

Guidance literature:

With chlorine; ethyltriphenylphosphonium bromide; In tetrachloromethane; at 40 - 120 ℃; Product distribution; effect of the nature and amount of catalyst, reagent ratio;

Reference yield:

buta-1,3-diene (106-99-0,130983-70-9,29406-96-0,9003-17-2) → 1,4-dichloro-2-butene (764-41-0) + 1,2,3,4-tetrachlorobutane (3405-32-1) + 3,4-dichlorobut-1-ene (310447-99-5,310448-01-2,64037-54-3)

Guidance literature:

With chlorine; In tetrachloromethane; at 50 ℃; Product distribution / selectivity;

upstream raw materials:

trans-1,4-dichlorobut-2-ene

(E)-3-Ureido-but-2-enoic acid ethyl ester

buta-1,3-diene

ethanol

Downstream raw materials:

hex-5-en-3-yn-1-ol

cis-1,4-dichloro-2,3-epoxybutane

1,4-bis(allyloxy)-trans-2-butene

trans-1,4-dicyano-2-butene

Refernces

10.1246/bcsj.52.1459

Takashi Matsumoto and Shogo Harada details the total synthesis of several naturally occurring tricyclic diterpenes with an abietane skeleton. The authors describe the synthesis of (+)-taxoquinone, (-)-7a-acetoxyroyleanone, (-)-dehydroroyleanone, (-)-horminone, (-)-7-oxoroyleanone, and (+)-inuroyleanol, all starting from (+)-ferruginol. The synthesis involves various chemical transformations, including methylation, oxidation with chromium trioxide, reduction with sodium borohydride, acetylation, and other reactions. The structures of the synthesized compounds were confirmed through NMR spectroscopy and other analytical methods. The study represents a significant advancement in the field of natural product synthesis, providing detailed procedures and characterizations for these complex diterpenes.

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