3-Cyclopropylprop-2-yn-1-ol

Base Information

• Chemical Name: 3-Cyclopropylprop-2-yn-1-ol
• CAS No.: 101974-69-0
• Molecular Formula: C6H8O
• Molecular Weight: 96.1289
• European Community (EC) Number: 822-639-1
• DSSTox Substance ID: DTXSID90383157
• Wikidata: Q82174786
• Mol file: 101974-69-0.mol

Synonyms:3-cyclopropylprop-2-yn-1-ol;101974-69-0;(3-Hydroxy-1-propyn-1-yl)cyclopropane;MFCD06654125;2-Propyn-1-ol, 3-cyclopropyl-;3-Cyclopropyl-prop-2-yn-1-ol;3-cyclopropyl-2-propyn-1-ol;DTXSID90383157;YPBRKXFDMDCCEA-UHFFFAOYSA-N;AMY34844;AKOS006292064;SB40477;SY028195;CS-0051385;FT-0710000;EN300-219953;3(c)\cyclopropylprop(c)\2(c)\yn(c)\1(c)\ol;F1913-0427

Chemical Property of 3-Cyclopropylprop-2-yn-1-ol

Chemical Property:

• Boiling Point: 78-79 °C(Press: 10 Torr)
• PKA: 12.91±0.10(Predicted)
• PSA: 20.23000
• Density: 1.06±0.1 g/cm3(Predicted)
• LogP: 0.39210
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 96.057514874
• Heavy Atom Count: 7
• Complexity: 111

Purity/Quality:

97% ^*data from raw suppliers

3-Cyclopropylprop-2-on-1-Ol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC1C#CCO

Technology Process of 3-Cyclopropylprop-2-yn-1-ol

There total 4 articles about 3-Cyclopropylprop-2-yn-1-ol 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: 90.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + Cyclopropylacetylene (6746-94-7) → 3-cyclopropylprop-2-yn-1-ol (101974-69-0)

Guidance literature:

Cyclopropylacetylene; With n-butyllithium; In tetrahydrofuran; hexane; at -78 ℃; for 0.5h; Inert atmosphere;

formaldehyd; In tetrahydrofuran; hexane; at -78 - 22 ℃; for 4h; Inert atmosphere;

DOI:10.1002/adsc.201500851

Reference yield: 86.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + 1,1-dibromo-2-cyclopropylehylene (122244-78-4) → 3-cyclopropylprop-2-yn-1-ol (101974-69-0)

Guidance literature:

1,1-dibromo-2-cyclopropylehylene; With n-butyllithium;

formaldehyd;

DOI:10.1055/s-2002-31915

Reference yield: 81.0%

1,3,5-Trioxan (110-88-3) + Cyclopropylacetylene (6746-94-7) → 3-cyclopropylprop-2-yn-1-ol (101974-69-0)

Guidance literature:

Cyclopropylacetylene; With n-butyllithium; In tetrahydrofuran; hexane; at -78 ℃; for 0.5h; Inert atmosphere;

1,3,5-Trioxan; In tetrahydrofuran; hexane; at -78 ℃; for 0.5h;

upstream raw materials:

formaldehyd

Cyclopropylacetylene

1-chloro-4-pentyne

1,1-dibromo-2-cyclopropylehylene

Downstream raw materials:

1,1-dichloro-3-cyclopropylprop-2-yne

C₁₃H₁₂O₂

(3-bromo-1-propyn-1-yl)cyclopropane

3‐cyclopropyl‐2‐propynoic acid