7-Bromohept-1-yne

Base Information

• Chemical Name: 7-Bromohept-1-yne
• CAS No.: 81216-14-0
• Molecular Formula: C7H11Br
• Molecular Weight: 175.068
• European Community (EC) Number: 967-437-5
• Mol file: 81216-14-0.mol

Synonyms:7-bromohept-1-yne;81216-14-0;1-Heptyne, 7-bromo-;7-Bromo-1-heptyne;7-bromo-hept-1-yne;SCHEMBL8662861;MFCD20343079;AKOS013830783;BS-52658;SY331927;E83326;EN300-4296793

Chemical Property of 7-Bromohept-1-yne

Chemical Property:

• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 4
• Exact Mass: 174.00441
• Heavy Atom Count: 8
• Complexity: 77.6

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C#CCCCCCBr

Technology Process of 7-Bromohept-1-yne

There total 3 articles about 7-Bromohept-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: 91.0%

1-hydroxy-6-heptyne (63478-76-2) → 7-bromo-hept-1-yne (81216-14-0)

Guidance literature:

With carbon tetrabromide; triphenylphosphine; In dichloromethane; at 20 ℃; for 1h; Cooling with ice;

Reference yield: 39.0%

1,5-dibromo-pentane (111-24-0) + sodium acetylide (1066-26-8) → 7-bromo-hept-1-yne (81216-14-0)

Guidance literature:

In 5,5-dimethyl-1,3-cyclohexadiene; N,N-dimethyl-formamide; at 25 ℃; for 68h; Schlenk technique; Inert atmosphere;

DOI:10.1055/s-0037-1611790

Reference yield:

hept-6-yn-1-yl 4-methylbenzenesulfonate (87462-63-3) → 7-bromo-hept-1-yne (81216-14-0)

Guidance literature:

With lithium bromide; In acetone; at 20 ℃; for 14h;

DOI:10.1002/anie.201104512

upstream raw materials:

1,5-dibromo-pentane

sodium acetylide

hept-6-yn-1-yl 4-methylbenzenesulfonate

1-hydroxy-6-heptyne

Downstream raw materials:

(E)-hept-1-en-1-yldimethyl(phenyl)silane

dimethyl(phenyl)silylmethylenecyclohexane

C₂HF₃O₂*C₃₀H₄₇N₆O₉P

C₃₀H₄₆FN₆O₈P