Cyclopropylacetylene

Base Information

• Chemical Name: Cyclopropylacetylene
• CAS No.: 6746-94-7
• Molecular Formula: C5H6
• Molecular Weight: 66.1026
• Hs Code.: 29021990
• European Community (EC) Number: 425-430-1,614-067-4
• DSSTox Substance ID: DTXSID80217795
• Nikkaji Number: J798.432D
• Wikipedia: Cyclopropylacetylene
• Wikidata: Q13506985
• Mol file: 6746-94-7.mol

Synonyms:Cyclopropylacetylene;Ethynylcyclopropane;6746-94-7;Cyclopropyl acetylene;cyclopropane, ethynyl-;ethynyl cyclopropane;Cyclopropane,ethynyl-;MFCD02181090;EC 425-430-1;Cyclopropylethyne;Ethyne, cyclopropyl-;cyclopropylethyne;cyclopropyl ethyne;cyclopropyacetylene;ethynyl-cyclopropane;ethynylcyclo-propane;Cyclopropylacethylene;cyclopropyl-acetylene;Ethynylcyclopropane #;CYCLOPROPYLACETYLENE (CPA);Cyclopropylacetylene, Neat, 97%;DTXSID80217795;BCP22444;AKOS007930096;AM20100625;C1984;FT-0636251;EN300-64405;F15427;A835763;Q-200911;Q13506985

Chemical Property of Cyclopropylacetylene

Chemical Property:

• Appearance/Colour: clear colorless to light yellow liquid
• Vapor Pressure: 605mmHg at 25°C
• Melting Point: 294 °C (decomp)
• Refractive Index: n20/D 1.4480
• Boiling Point: 31.4 °C at 760 mmHg
• Flash Point: -5 °C
• PSA: 0.00000
• Density: 0.85 g/cm³
• LogP: 1.02960
• Storage Temp.: Flammables area
• Solubility.: Chloroform, Ethyl Acetate
• Water Solubility.: Slightly soluble in water.
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 66.0469501914
• Heavy Atom Count: 5
• Complexity: 69.3

Purity/Quality:

99% ^*data from raw suppliers

Cyclopropylacetylene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F, Xn, Xi
• Hazard Codes: F,Xn,Xi
• Statements: 11-36/37/38-48/20-63-65-67-52/53-41-38-4-37/38-22
• Safety Statements: 26-36/37-62-37/39-16-61-33-9-36/37/39-39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C#CC1CC1
• Uses: Cyclopropylacetylene is used as an organic chemical synthesis intermediate.

Technology Process of Cyclopropylacetylene

There total 44 articles about Cyclopropylacetylene 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: 96.0%

1-chloro-1-cyclopropylethene (24154-06-1) → Cyclopropylacetylene (6746-94-7)

Guidance literature:

With potassium hydroxide; In decane; water; at 90 ℃; for 4h;

Reference yield: 90.0%

1-chloro-4-pentyne (14267-92-6) → Cyclopropylacetylene (6746-94-7)

Guidance literature:

Reference yield: 90.0%

4-methylpentyne (7154-75-8) + N-benzyl-3-cyclopropylprop-2-yn-1-amine → Cyclopropylacetylene (6746-94-7) + N-benzyl-5-methylhex-2-yn-1-amine

Guidance literature:

With Lu(N(SiMe₃)2)3; In toluene; at 120 ℃; for 12h; Inert atmosphere; Glovebox; Schlenk technique; Sealed tube;

DOI:10.1002/anie.201605822

upstream raw materials:

1',2'-Dibromethylcyclopropan

1-chloro-1-cyclopropylethene

α,α-dichloroethylcyclopropane

(1-iodovinyl)cyclopropane

Downstream raw materials:

4-methoxy-4-cyclopropyl-3-buten-2-one

3-cyclopropylprop-2-yn-1-ol

1-methyl-4-{[5-(phenylseleno)-1,2-pentadien-1-yl]sulfonyl}benzene

1-((E)-2-Cyclopropyl-2-phenylselanyl-ethenesulfonyl)-4-methyl-benzene

Refernces

• 1、 Sherrod,Bergman. "". . p. 2115. Retrieved 1969.
• 2、 -. "Safe and environment-friendly preparation method of cyclopropyl acetylene". Paragraph 0037-0070. . Retrieved 2020/08/22.
• 3、 -. "METHOD FOR THE MANUFACTURE OF EFAVIRENZ". Page/Page column 23. . Retrieved 2018/09/19.