Spiro[3.4]octa-5,7-diene

Base Information

• Chemical Name: Spiro[3.4]octa-5,7-diene
• CAS No.: 15439-15-3
• Molecular Formula: C₈H₁₀
• Molecular Weight: 106.167
• Hs Code.: 2902199090
• DSSTox Substance ID: DTXSID50165618
• Wikidata: Q83034858
• Mol file: 15439-15-3.mol

Synonyms:Spiro[3.4]octa-5,7-diene;Spiro(3.4)octa-5,7-diene;15439-15-3;DTXSID50165618

Chemical Property of Spiro[3.4]octa-5,7-diene

Chemical Property:

• Vapor Pressure: 4.01mmHg at 25°C
• Boiling Point: 154.8°Cat760mmHg
• Flash Point: 24.2°C
• PSA: 0.00000
• Density: 0.96g/cm³
• LogP: 2.28270
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 106.078250319
• Heavy Atom Count: 8
• Complexity: 133

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC2(C1)C=CC=C2

Technology Process of Spiro[3.4]octa-5,7-diene

There total 20 articles about Spiro[3.4]octa-5,7-diene 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:

2,2'-(cyclobutane-1,1-diyl)diacetonitrile (1073-90-1) → Spiro<3.4>octa-5,7-dien (15439-15-3)

Guidance literature:

Multi-step reaction with 7 steps

1: (i) aq. HCl, (ii) /BRN= 1718733/

2: Na / toluene

3: aq. HCl / tetrahydrofuran

4: (i) TsCl, Py, (ii) LiCl, acetone

5: Li₂CO₃, LiBr / dimethylformamide

6: DIBAH / benzene

7: (i) Ph₃P, CCl₄, (ii) KOtBu, triglyme

With hydrogenchloride; sodium; lithium carbonate; diisobutylaluminium hydride; lithium bromide; In tetrahydrofuran; N,N-dimethyl-formamide; toluene; benzene;

DOI:10.1021/ja00806a056

Reference yield:

Spiro[3.4]oct-7-en-6-one (50782-04-2) → Spiro<3.4>octa-5,7-dien (15439-15-3)

Guidance literature:

Multi-step reaction with 2 steps

1: DIBAH / benzene

2: (i) Ph₃P, CCl₄, (ii) KOtBu, triglyme

With diisobutylaluminium hydride; In benzene;

DOI:10.1021/ja00806a056

Reference yield:

7-Chloro-spiro[3.4]octan-6-one (50782-03-1) → Spiro<3.4>octa-5,7-dien (15439-15-3)

Guidance literature:

Multi-step reaction with 3 steps

1: Li₂CO₃, LiBr / dimethylformamide

2: DIBAH / benzene

3: (i) Ph₃P, CCl₄, (ii) KOtBu, triglyme

With lithium carbonate; diisobutylaluminium hydride; lithium bromide; In N,N-dimethyl-formamide; benzene;

DOI:10.1021/ja00806a056

upstream raw materials:

cyclopenta-1,3-diene

1,3-dibromo-propane

5-Chlorspiro<3.4>oct-6-en

Spiro<3,4>oct-6-en-5-ol

Downstream raw materials:

spiro[3.4]octane

Refernces