Cyclohexane, 2-propynylidene-

Base Information

• Chemical Name: Cyclohexane, 2-propynylidene-
• CAS No.: 2806-45-3
• Molecular Formula: C₉H₁₂
• Molecular Weight: 120.194
• DSSTox Substance ID: DTXSID10182341
• Nikkaji Number: J119.561A
• Mol file: 2806-45-3.mol

Synonyms:Cyclohexane, 2-propynylidene-;2806-45-3;Propargylidenecyclohexane;Propynylidenecyclohexane;3-Cyclohexylidene-1-propyne;DTXSID10182341;KDDPBZDSQZBJHB-UHFFFAOYSA-N

Chemical Property of Cyclohexane, 2-propynylidene-

Chemical Property:

• Vapor Pressure: 2.15mmHg at 25°C
• Boiling Point: 168.4°Cat760mmHg
• Flash Point: 43.4°C
• PSA: 0.00000
• Density: 0.969g/cm³
• LogP: 2.51010
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 120.093900383
• Heavy Atom Count: 9
• Complexity: 146

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C#CC=C1CCCCC1

Technology Process of Cyclohexane, 2-propynylidene-

There total 4 articles about Cyclohexane, 2-propynylidene- 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:

1-(1-propynyl)cyclohexene (1655-05-6) → 3-Cyclohexyl-propen-(3)-in-(1) (2806-45-3)

Guidance literature:

With ammonia; potassium amide; In diethyl ether;

Reference yield:

1-ethenylcyclohexene (931-49-7) → 3-Cyclohexyl-propen-(3)-in-(1) (2806-45-3)

Guidance literature:

Multi-step reaction with 2 steps

1: (i) LiNH₂, liq. NH₃, (ii) /BRN= 969135/

2: KNH₂, liq. NH₃ / diethyl ether

With ammonia; potassium amide; In diethyl ether;

Reference yield:

(3-Cyclohexyliden-1-propinyl)-methylthioether (19430-09-2) → 3-Cyclohexyl-propen-(3)-in-(1) (2806-45-3)

Guidance literature:

With ammonia; sodium amide;

upstream raw materials:

methanol

1-propa-1,2-dienylcyclohexan-1-ol

1-(1-propynyl)cyclohexene

(3-Cyclohexyliden-1-propinyl)-methylthioether

Downstream raw materials:

1-(1-Methyl-allyl)-1-prop-2-ynyl-cyclohexane

C₁₃H₂₀

(2-Methylene-pent-4-enylidene)-cyclohexane

1-Allyl-1-prop-2-ynyl-cyclohexane