1-Bromo-4-hydroxy-2-butyne

Base Information

• Chemical Name: 1-Bromo-4-hydroxy-2-butyne
• CAS No.: 13280-08-5
• Molecular Formula: C4H5BrO
• Molecular Weight: 148.987
• European Community (EC) Number: 828-606-8
• DSSTox Substance ID: DTXSID801315173
• Nikkaji Number: J1.603.099F
• Mol file: 13280-08-5.mol

Synonyms:4-bromobut-2-yn-1-ol;13280-08-5;1-bromo-4-hydroxy-2-butyne;starbld0044422;4-Bromo-2-butyn-1-ol;SCHEMBL7530762;DTXSID801315173;EN300-83766

Chemical Property of 1-Bromo-4-hydroxy-2-butyne

Chemical Property:

• XLogP3: 0.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 147.95238
• Heavy Atom Count: 6
• Complexity: 76

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C(C#CCBr)O

Technology Process of 1-Bromo-4-hydroxy-2-butyne

There total 1 articles about 1-Bromo-4-hydroxy-2-butyne 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: 45.0%

1,4-dihydroxybut-2-yne (110-65-6) → 4-bromobut-2-yn-1-ol (13280-08-5) + 1,4-dibromobut-2-yne (2219-66-1)

Guidance literature:

With 1,2-dibromo-1,1,2,2-tetrachloroethane; triphenylphosphine; In dichloromethane; at 20 ℃; for 0.15h;

DOI:10.3906/kim-1804-41

Reference yield: 48.0%

4-bromobut-2-yn-1-ol (13280-08-5) + 4-(triphenylmethylthio)azetidin-2-one (75938-83-9) → 1-(4-hydroxybut-2-ynyl)-4-(triphenylmethylthio)azetidin-2-one (77976-53-5)

Guidance literature:

With potassium tert-butylate; In N,N-dimethyl-formamide; tert-butyl alcohol;

DOI:10.1039/P19810000892

Reference yield:

4-bromobut-2-yn-1-ol (13280-08-5) + bis(phenylsulfonyl)methane (3406-02-8) → 5,5-bis(phenylsulfonyl)pent-2-yn-1-ol

Guidance literature:

With potassium carbonate; In acetone; at 20 ℃; for 48h; Inert atmosphere;

DOI:10.3906/kim-2004-81

upstream raw materials:

1,4-dihydroxybut-2-yne

Downstream raw materials:

1-(4-hydroxybut-2-ynyl)-4-(triphenylmethylthio)azetidin-2-one

5-(4-methylphenylsulfonyl)-5-azanona-2,7-diyne-1,9-diol

4-[2-(4-hydroxy-but-2-ynyloxy)-phenoxy]-but-2-yn-1-ol

1,4-Di-(butin-2-ol-4-oxy)-benzol