1,3-Dimethylbicyclo[1.1.0]butane

Base Information

• Chemical Name: 1,3-Dimethylbicyclo[1.1.0]butane
• CAS No.: 930-25-6
• Molecular Formula: C6H10
• Molecular Weight: 82.1436
• DSSTox Substance ID: DTXSID90239226
• Nikkaji Number: J744.624A
• Wikidata: Q83121570
• Mol file: 930-25-6.mol

Synonyms:1,3-Dimethylbicyclo[1.1.0]butane;1,3-Dimethylbicyclo(1.1.0)butane;930-25-6;DTXSID90239226

Chemical Property of 1,3-Dimethylbicyclo[1.1.0]butane

Chemical Property:

• Vapor Pressure: 464mmHg at 25°C
• Boiling Point: 38.7°Cat760mmHg
• Flash Point: °C
• PSA: 0.00000
• Density: 1.007g/cm³
• LogP: 1.80640
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 82.078250319
• Heavy Atom Count: 6
• Complexity: 80.6

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC12CC1(C2)C

Technology Process of 1,3-Dimethylbicyclo[1.1.0]butane

There total 5 articles about 1,3-Dimethylbicyclo[1.1.0]butane 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: 88.0%

1,3-dibromo-1,3-dimethylcyclobutane (16411-79-3) → 1,3-dimethylbicyclo<1.1.0>butane (930-25-6)

Guidance literature:

With lithium amalgam; In N,N-dimethyl-formamide; for 2h; Ambient temperature;

DOI:10.1021/ja00327a025

Reference yield:

1,3-dibromo-1,3-dimethylcyclobutane (16411-79-3) → 1.3-Dimethylbicyclobutan (930-25-6)

Guidance literature:

With sodium;

DOI:10.1021/ja00763a037

Reference yield:

1,4-dimethyl-2,3-diazabicyclo<2.1.1>hex-2-ene (90742-83-9) → 1,3-dimethylbicyclo<1.1.0>butane (930-25-6)

Guidance literature:

In benzene-d6; at 100.8 - 124.2 ℃; Kinetics; Thermodynamic data; ΔH^*(excit.), ΔS^*(excit.);

DOI:10.1021/ja00327a025

upstream raw materials:

1-Methylbicyclo<1.1.0>butane

methyl iodide

1,3-dibromo-1,3-dimethylcyclobutane

1,4-dimethyl-2,3-diazabicyclo<2.1.1>hex-2-ene

Downstream raw materials:

1,3-Dimethyl-3-phenyl-cyclobuten

2-(1,3-Dimethylcyclobuten-3-yl)-4-phenyl-1H,2H-1,2,4-triazole-3,5-dione