cis-3,4-Dichlorocyclobutene

Base Information

• Chemical Name: cis-3,4-Dichlorocyclobutene
• CAS No.: 2957-95-1
• Molecular Formula: C4H4 Cl2
• Molecular Weight: 122.982
• Hs Code.: 2903890090
• European Community (EC) Number: 220-981-0
• Nikkaji Number: J80.598J
• Mol file: 2957-95-1.mol

Synonyms:cis-3,4-Dichlorocyclobutene;2957-95-1;SCHEMBL6048989;(3S,4R)-3,4-dichlorocyclobutene;AKOS015916234;NS00047885;(3R,4S)-3,4-DICHLOROCYCLOBUT-1-ENE;cis-3,4-Dichlorocyclobutene, >=95.0% (GC);J-017571

Chemical Property of cis-3,4-Dichlorocyclobutene

Chemical Property:

• Vapor Pressure: 7.13mmHg at 25°C
• Refractive Index: n20/D 1.503
• Boiling Point: 142°Cat760mmHg
• Flash Point: 51.9°C
• PSA: 0.00000
• Density: 1.31g/cm³
• LogP: 1.77100
• Storage Temp.: 2-8°C
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 121.9690055
• Heavy Atom Count: 6
• Complexity: 67.6

Purity/Quality:

99%, ^*data from raw suppliers

CIS-3,4-DICHLOROCYCLOBUTENE 95.00% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: F
• Statements: 10

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(C1Cl)Cl
• Isomeric SMILES: C1=C[C@@H]([C@@H]1Cl)Cl

Technology Process of cis-3,4-Dichlorocyclobutene

There total 5 articles about cis-3,4-Dichlorocyclobutene 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: 80.0%

cis-3,4-dichlorocyclobutene (2957-95-1) → trans-3,4-Dichlorocyclobuten (1192-02-5,2957-95-1,41326-64-1)

Guidance literature:

With aluminium trichloride; In chloroform; at 0 ℃; for 2h;

DOI:10.1055/s-1981-29618

Reference yield:

→ cis-3,4-dichlorocyclobutene (2957-95-1) + 1,4-dichloro-1,3-butadiene (2984-42-1) + trans-3,4-dichlorocyclobutene (1192-02-5)

Guidance literature:

at 140 ℃;

DOI:10.1016/0584-8539(91)80275-N

Reference yield:

cis-3.4-Dichlor-7.8-bis-methoxycarbonyl-anti-tricyclo<4.2.2.02.5>decadien-(7.9) (91167-08-7) → cis-3,4-dichlorocyclobutene (2957-95-1)

Guidance literature:

at 190 ℃;

upstream raw materials:

cis-3.4-Dichlor-7.8-bis-methoxycarbonyl-anti-tricyclo<4.2.2.0^2.5>decadien-(7.9)

Downstream raw materials:

6c,7c-dichloro-(1rH,5cH)-2-oxa-3-aza-bicyclo[3.2.0]hept-3-ene-4-carboxylic acid ethyl ester

6t,7t-dichloro-(1rH,5cH)-2-oxa-3-aza-bicyclo[3.2.0]hept-3-ene-4-carboxylic acid ethyl ester

6t,7t-dichloro-4-(2,6-dichloro-phenyl)-(1rH,5cH)-2-oxa-3-aza-bicyclo[3.2.0]hept-3-ene

6c,7c-dichloro-4-(2,6-dichloro-phenyl)-(1rH,5cH)-2-oxa-3-aza-bicyclo[3.2.0]hept-3-ene

Refernces

• 1、 Mueller, Paul,Joly, Daniel,Mermoud, Francois. "Stereochemistry of Dehydrogenation of 1,4-cyclohexadiene with 2,3-dichloro-5,6-dicyano-p-benzoquinone". . p. 105 - 112. Retrieved 2007/10/02.