1,4-Dichloro-2-butene, (2E)-

Base Information

• Chemical Name: 1,4-Dichloro-2-butene, (2E)-
• CAS No.: 110-57-6
• Molecular Formula: C4H6Cl2
• Molecular Weight: 124.998
• Hs Code.: 29032990
• European Community (EC) Number: 203-779-7,212-121-8
• UN Number: 2920,2927,2922
• UNII: 92HZ946H7Y
• DSSTox Substance ID: DTXSID6020434
• Nikkaji Number: J3.024D,J55.490A
• Wikipedia: 1,4-Dichlorobut-2-ene
• Wikidata: Q4545691
• ChEMBL ID: CHEMBL468582
• Mol file: 110-57-6.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, (2E)-

Chemical Property:

• Appearance/Colour: clear colorless to light yellow liquid
• Vapor Pressure: 10 mm Hg ( 20 °C)
• Melting Point: 1-3 °C
• Refractive Index: n20/D 1.488(lit.)
• Boiling Point: 125.5 °C at 760 mmHg
• Flash Point: 33.3 °C
• PSA: 0.00000
• Density: 1.13 g/cm³
• LogP: 2.02020
• Storage Temp.: 2-8°C
• Solubility.: Chloroform, Ethyl Acetate
• 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,Poison Corrosive

Purity/Quality:

99% ^*data from raw suppliers

trans1,4-Dichloro-2-butene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T+
• Hazard Codes: T+,T,F,N
• Statements: 10-21-25-26-34-39/23/24/25-23/24/25-11-50/53-45-24/25
• Safety Statements: 53-23-26-36/37/39-45-36/37-99-61-60-16

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Halogenated Aliphatics, Unsaturated,Unsaturated
• Canonical SMILES: C(C=CCCl)Cl
• Isomeric SMILES: C(/C=C/CCl)Cl
• Uses: 1,4-Dichloro-2-butene is used in the synthesis of anthraquinones used in the asymmetric dihydroxylation of olefins. Also used to prepare arylcarboxamides used as novel dopamine receptor antagonists.

Technology Process of 1,4-Dichloro-2-butene, (2E)-

There total 11 articles about 1,4-Dichloro-2-butene, (2E)- 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: 67.0%

3,4-dichlorobut-1-ene (310447-99-5,310448-01-2,64037-54-3) → trans-1,4-dichlorobut-2-ene (110-57-6)

Guidance literature:

With poly(tetrafluoroethylene); iron oxide nanoparticles; oxygen; at 100 ℃; for 0.5h;

DOI:10.1007/s11172-005-0422-1

Reference yield:

buta-1,3-diene (106-99-0,130983-70-9,29406-96-0,9003-17-2) → trans-1,4-dichlorobut-2-ene (110-57-6) + 3,4-dichlorobut-1-ene (310447-99-5,310448-01-2,64037-54-3)

Guidance literature:

With chlorine; at 60 - 75 ℃; in der Dampfphase;

DOI:10.1021/ja01149a061

Reference yield:

buta-1,3-diene (106-99-0,130983-70-9,29406-96-0,9003-17-2) → trans-1,4-dichlorobut-2-ene (110-57-6)

Guidance literature:

With tetrachloromethane; chlorine; at -80 ℃; unter Lichtausschluss;

DOI:10.1021/ja01145a083

upstream raw materials:

3,4-dichlorobut-1-ene

buta-1,3-diene

1,4-dichloro-2-butene

methanol

Downstream raw materials:

trans-3-Hexene

buta-1,3-diene

3,3'-dichloro-4,4'-but-2t-enediyldioxy-di-benzonitrile

(E)-1,4-dimethoxy-2-butene

Refernces

• 1、 Baird,W.C. et al.. "-". . p. 3324 - 3330. Retrieved 1971.
• 2、 Mislow,Hellman. "-". . p. 244,246. Retrieved 1951.
• 3、 Craig,Fowler. "". . p. 713. Retrieved 1961.
• 4、 Langeroodi, Narges Samadani. "Isomerization of 3,4-dichloro-1-butene into 1,4-dichloro-2-butene by heterogeneous catalysis". experimental part. p. 125 - 128. Retrieved 2011/10/05.