1-Bromobut-1-yne

Base Information

• Chemical Name: 1-Bromobut-1-yne
• CAS No.: 50405-39-5
• Molecular Formula: C4H5Br
• Molecular Weight: 132.988
• Hs Code.: 2903399090
• DSSTox Substance ID: DTXSID90451148
• Nikkaji Number: J346.223D
• Wikidata: Q72452220
• Mol file: 50405-39-5.mol

Synonyms:1-bromobut-1-yne;50405-39-5;1-BROMO-1-BUTYNE;1-Butyne, 1-bromo-;bromobutyne;butinyl bromide;butynyl bromide;SCHEMBL596326;DTXSID90451148;KPOVYMZGZNPRNA-UHFFFAOYSA-N;AKOS015918430;FT-0690977

Chemical Property of 1-Bromobut-1-yne

Chemical Property:

• Vapor Pressure: 36.1mmHg at 25°C
• Refractive Index: 1.4704 (20℃)
• Boiling Point: 104.256oC at 760 mmHg
• Flash Point: 21.683oC
• PSA: 0.00000
• Density: 1.461g/cm3
• LogP: 1.75220
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 131.95746
• Heavy Atom Count: 5
• Complexity: 62.2

Purity/Quality:

98%Min ^*data from raw suppliers

1-BROMO-1-BUTYNE,98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC#CBr

Technology Process of 1-Bromobut-1-yne

There total 3 articles about 1-Bromobut-1-yne 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: 88.0%

but-1-yne (107-00-6) → 1-bromobut-1-yne (50405-39-5)

Guidance literature:

With potassium hydroxide; potassium hypobromite; In water; Petroleum ether; at 15 - 20 ℃;

DOI:10.1055/s-1990-27069

Reference yield: 40.0%

1-butynyl magnesium bromide (51207-09-1) → 1-bromobut-1-yne (50405-39-5)

Guidance literature:

With bromine; In diethyl ether; at -40 ℃;

DOI:10.1007/BF00704017

Reference yield:

1,1-dibromo-3-methylprop-1-ene (73383-24-1) → 1-bromobut-1-yne (50405-39-5)

Guidance literature:

With tetrabutyl ammonium fluoride; In N,N-dimethyl-formamide; at 80 ℃; for 1h;

DOI:10.1016/j.tet.2011.05.111

upstream raw materials:

but-1-yne

1-butynyl magnesium bromide

1,1-dibromo-3-methylprop-1-ene

Downstream raw materials:

1,1-diethoxy-11,13-hexadecadiyne

2-propylbenzo[d]thiazole

hexa-1,3-diyn-1-ylbenzene

butan-1-ol

Refernces

• 1、 Fan, Xuesen,He, Yan,Zhang, Xinying,Guo, Shenghai,Wang, Yangyang. "Synthesis of heteroaryl ketones via tandem reaction of 1,1-dibromoethenes". experimental part. p. 6369 - 6374. Retrieved 2011/09/12.
• 2、 Bayer, Alexander,Maier, Martin E.. "Synthesis of enamides from aldehydes and amides". . p. 6665 - 6677. Retrieved 2007/10/03.