2,3-Dibromobut-2-ene-1,4-diol

Base Information

• Chemical Name: 2,3-Dibromobut-2-ene-1,4-diol
• CAS No.: 3234-02-4
• Molecular Formula: C4H6Br2O2
• Molecular Weight: 245.898
• Hs Code.: 29055998
• DSSTox Substance ID: DTXSID90274233
• ChEMBL ID: CHEMBL3186369
• Mol file: 3234-02-4.mol

Synonyms:2,3-dibromobut-2-ene-1,4-diol;trans-2.3-Dibromo-2-butene-1.4-diol;MFCD00004698;CHEMBL3186369;DTXSID90274233;AKOS030228170;SY023207;FT-0609514;FT-0689127

Chemical Property of 2,3-Dibromobut-2-ene-1,4-diol

Chemical Property:

• Appearance/Colour: white crystalline powder
• Vapor Pressure: 3.07E-05mmHg at 25°C
• Melting Point: 112-114°C(lit.)
• Refractive Index: 1.63
• Boiling Point: 318.1 °C at 760 mmHg
• PKA: 11.91±0.10(Predicted)
• Flash Point: 146.2 °C
• PSA: 40.46000
• Density: 2.252 g/cm³
• LogP: 0.97240
• Water Solubility.: 1-5 g/100 mL at 21 ºC
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 245.87141
• Heavy Atom Count: 8
• Complexity: 88.2

Purity/Quality:

98% ^*data from raw suppliers

trans-2,3-Dibromo-2-butene-1,4-diol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R36/37/38:
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(C(=C(CO)Br)Br)O

Technology Process of 2,3-Dibromobut-2-ene-1,4-diol

There total 3 articles about 2,3-Dibromobut-2-ene-1,4-diol 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: 95.0%

1,4-dihydroxybut-2-yne (110-65-6) → 2,3-dibromo-but-2-ene-1,4-diol (3234-02-4)

Guidance literature:

With tetraethylammonium bromide; bromine; In dichloromethane; at 20 - 30 ℃; for 8h; Green chemistry;

Reference yield:

→ 2,3-dibromo-but-2-ene-1,4-diol (3234-02-4)

Guidance literature:

With sodium ethanolate;

Reference yield:

→ 2,3-dibromo-but-2-ene-1,4-diol (3234-02-4)

Guidance literature:

upstream raw materials:

1,4-dihydroxybut-2-yne

Downstream raw materials:

1,4-dihydroxybut-2-yne

3,4-dibromofuran

Refernces

• 1、 Paul, Bappi,Bhuyan, Bishal,Purkayastha, Debraj D.,Dhar, Siddhartha S.,Patel, Bhisma K.. "Hexamethonium bis(tribromide) (HMBTB) a recyclable and high bromine containing reagent". . p. 5646 - 5650. Retrieved 2015/09/21.