3V6Gbm4yud

Base Information

• Chemical Name: 3V6Gbm4yud
• CAS No.: 694-01-9
• Molecular Formula: C6H8
• Molecular Weight: 80.1295
• UNII: 3V6GBM4YUD
• Nikkaji Number: J880.033B
• Mol file: 694-01-9.mol

Synonyms:3V6GBM4YUD;NSC-174689;CIS-BICYCLO(3.1.0)HEX-2-ENE;(+/-)-BICYCLO(3.1.0)HEX-2-ENE

Chemical Property of 3V6Gbm4yud

Chemical Property:

• Vapor Pressure: 96.6mmHg at 25°C
• Boiling Point: 79.9°C at 760 mmHg
• PSA: 0.00000
• Density: 0.992g/cm³
• LogP: 1.58240
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 80.062600255
• Heavy Atom Count: 6
• Complexity: 92.2

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C=CC2C1C2
• Isomeric SMILES: C1C=C[C@@H]2[C@H]1C2

Technology Process of 3V6Gbm4yud

There total 4 articles about 3V6Gbm4yud 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:

bicyclo{3.1.0}hex-2-ene (694-01-9) → cyclohexa-1->5-dienyl (12169-67-4) + Bicyclo<3.1.0>hex-2-ene radical (55394-12-2) + cyclohexa-1,3-diene radical cation (592-57-4) + Bicyclo<3.1.0>hex-2-ene radical cation (694-01-9,126110-24-5)

Guidance literature:

In 1,1,2-Trichloro-1,2,2-trifluoroethane; Mechanism; Irradiation; 1) 77 K, 2) 130 K; also in CCl₃F;

DOI:10.1016/0040-4039(92)88183-6

Reference yield:

cyclohexa-1,4-diene (1165952-92-0) → 1,3,5-hexatriene (2235-12-3) + bicyclo{3.1.0}hex-2-ene (694-01-9) + cyclohexa-1,3-diene (1165952-91-9) + benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1)

Guidance literature:

In pentane; at 20 ℃; for 1.5h; Product distribution; Irradiation;

DOI:10.1021/ja00414a043

Reference yield:

diazomethane (186581-53-3,908094-01-9,334-88-3) + cyclopenta-1,3-diene (542-92-7,25568-84-7,7313-32-8) → bicyclo{3.1.0}hex-2-ene (694-01-9) + tricyclo<4.1.0.02,4>heptane (187-26-8,16782-43-7,16782-44-8)

Guidance literature:

With bis(benzonitrile)palladium(II) dichloride; In dichloromethane; at -10 - 0 ℃;

DOI:10.1007/BF00995691

upstream raw materials:

diazomethane

cyclopenta-1,3-diene

cyclohexa-1,4-diene

diiodomethane

Downstream raw materials:

1-acetyl-5-fluorocyclohexene

4-methylcyclopentene

3-methyl-1-cyclopentene

cyclohexa-1->5-dienyl

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