Prop-1-yn-1-ylcyclopropane

Base Information

• Chemical Name: Prop-1-yn-1-ylcyclopropane
• CAS No.: 58405-37-1
• Molecular Formula: C6H8
• Molecular Weight: 80.1295
• DSSTox Substance ID: DTXSID20459692
• Wikidata: Q82283517
• Mol file: 58405-37-1.mol

Synonyms:prop-1-yn-1-ylcyclopropane;2-Propyn-1-ylcyclopropane;Cyclopropane, 2-propynyl-;35201-01-5;2-Propynylcyclopropane;DTXSID20459692;AKOS005175044;A923198

Chemical Property of Prop-1-yn-1-ylcyclopropane

Chemical Property:

• Boiling Point: 72.0±9.0 °C(Predicted)
• PSA: 0.00000
• Density: 0.879±0.06 g/cm3(Predicted)
• LogP: 1.41970
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 80.062600255
• Heavy Atom Count: 6
• Complexity: 95.7

Purity/Quality:

97% ^*data from raw suppliers

Prop-2-ynylcyclopropane ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC#CC1CC1

Technology Process of Prop-1-yn-1-ylcyclopropane

There total 5 articles about Prop-1-yn-1-ylcyclopropane 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:

cyclopropylcarbinyl bromide (7051-34-5) + trimethylsilylacetylene (1066-54-2) → (cyclopropylmethyl)acetylene (58405-37-1)

Guidance literature:

trimethylsilylacetylene; With n-butyllithium; In tetrahydrofuran; at -70 - 0 ℃; for 0.166667h; Inert atmosphere;

With N,N,N,N,N,N-hexamethylphosphoric triamide; In tetrahydrofuran; at -70 ℃; for 0.5h; Inert atmosphere;

cyclopropylcarbinyl bromide; In tetrahydrofuran; at -70 - 20 ℃; for 16h; Inert atmosphere;

Reference yield:

lithium acetylide-ethylenediamine complex (1216963-74-4) + cyclopropylcarbinyl bromide (7051-34-5) → (cyclopropylmethyl)acetylene (58405-37-1)

Guidance literature:

In dimethyl sulfoxide; at 25 ℃;

DOI:10.1021/j100007a013

Reference yield:

2-cyclopropylacetonitrile (6542-60-5) → (cyclopropylmethyl)acetylene (58405-37-1)

Guidance literature:

Multi-step reaction with 3 steps

1: diethyl ether

2: (i) pyridine, CH₂Cl₂, (ii) /BRN= 1850757/

3: Py, CF₃CH₂OH / 72 h / 80 °C

With pyridine; 2,2,2-trifluoroethanol; In diethyl ether;

upstream raw materials:

1-(Cyclopropylmethyl)-vinyl-triflat

lithium acetylide-ethylenediamine complex

cyclopropylcarbinyl bromide

1-cyclopropylpropan-2-one