2,3-Dibromo-1,4-butanediol

Base Information

• Chemical Name: 2,3-Dibromo-1,4-butanediol
• CAS No.: 20163-90-0
• Molecular Formula: C4H8Br2O2
• Molecular Weight: 247.914
• Hs Code.: 2905590090
• European Community (EC) Number: 217-750-1,927-856-6,631-543-7
• DSSTox Substance ID: DTXSID70869065
• Nikkaji Number: J102.887A
• Wikidata: Q106892216
• Mol file: 20163-90-0.mol

Synonyms:2,3-Dibromo-1,4-butanediol;2,3-Dibromobutane-1,4-diol;1947-58-6;20163-90-0;1,4-Butanediol, d,l-2,3-dibromo-;BRN 1719778;EINECS 217-750-1;1,4-BUTANEDIOL, 2,3-DIBROMO-, (+,-)-;dl-2,3-Dibromo-1,4-butanediol;1,4-Butanediol, 2,3-dibromo-;(R*,R*)-(1)-2,3-Dibromobutane-1,4-diol;4-01-00-02522 (Beilstein Handbook Reference);1,4-Butanediol, 2,3-dibromo-, (R*,R*)-(.+/-.)-;76818-94-5;SCHEMBL373823;DTXSID70869065;2,3-Dibromo-1,4-butanediol #;BAA94758;MFCD00011549;2,3-Dibromo-1,4-butanediol, 99%;AKOS015915044;(+/-)-2,3-dibromo-1,4-butanediol;.+/-.-2,3-Dibromo-1,4-butanediol;AS-14411;LS-45817;CS-0336551;FT-0609513;FT-0659513;F16799;(R*,R*)-(+-)-2,3-dibromobutane-1,4-diol;A813749;A879800;1,4-Butanediol, 2,3-dibromo-, (R*,R*)-(.+.)-

Chemical Property of 2,3-Dibromo-1,4-butanediol

Chemical Property:

• Vapor Pressure: 3.73E-05mmHg at 25°C
• Melting Point: 88-90oC(lit.)
• Refractive Index: 1.5230 (estimate)
• Boiling Point: 148-150 °C1.5 mm Hg(lit.)
• Flash Point: 148-150°C/1.5mm
• PSA: 40.46000
• Density: 1,256 g/cm3
• LogP: 0.49800
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 247.88706
• Heavy Atom Count: 8
• Complexity: 52

Purity/Quality:

99% ^*data from raw suppliers

2,3-Dibromobutane-1,4-diol 95+% ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(C(C(CO)Br)Br)O

Technology Process of 2,3-Dibromo-1,4-butanediol

There total 7 articles about 2,3-Dibromo-1,4-butanediol 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: 90.0%

1,4-butenediol (821-11-4,6117-80-2,110-64-5) → 2,3-dibromo-1,4-dihydroxy-2-butane (20163-90-0,19953-61-8)

Guidance literature:

With hexamethonium bis(tribromide); In neat (no solvent); for 0.333333h; regioselective reaction; Green chemistry;

DOI:10.1016/j.tetlet.2015.08.063

Reference yield: 87.0%

1,4-butenediol (6117-80-2) → 2,3-dibromo-1,4-dihydroxy-2-butane (20163-90-0,19953-61-8)

Guidance literature:

With oxone; hydrogen bromide; at 20 ℃; for 0.0833333h;

DOI:10.1055/s-2004-831232

Reference yield:

→ rel-(2R,3R)-2,3-dibromo-1,4-butanediol (1947-58-6,20163-90-0,76818-94-5,90801-18-6,19953-61-8)

Guidance literature:

With diisopropyl L-tartrate; Durch fraktionierte Krystallisation_.;

DOI:10.1016/S0040-4039(01)99428-6

upstream raw materials:

1,4-butenediol

diethyl ether

bromine

trans-butene-1,4-diol

Downstream raw materials:

1,2:3,4-Diepoxybutane

2,3-Bis-phenylsulfanyl-butane-1,4-diol

Refernces

• 1、 Kim, Kyoung-Mahn,Park, In-Hwan. "A convenient halogenation of α,β-unsaturated carbonyl compounds with OXONE and hydrohalic acid (HBr,HCl)". . p. 2641 - 2644. Retrieved 2007/10/03.