3-Bromocyclohexane-1,2-dione

Base Information

• Chemical Name: 3-Bromocyclohexane-1,2-dione
• CAS No.: 24829-91-2
• Molecular Formula: C6H7BrO2
• Molecular Weight: 191.024
• European Community (EC) Number: 969-985-0
• Nikkaji Number: J2.980.382J
• Mol file: 24829-91-2.mol

Synonyms:3-bromocyclohexane-1,2-dione;24829-91-2;mono-bromocyclohexanedione;3-bromocyclohexane-1,2dione;SCHEMBL961591;3-bromo-cyclohexane-1,2-dione;WTKNTVZMJPXZPR-UHFFFAOYSA-N;AKOS026727568;AT29169;CS-0436729;EN300-84704

Chemical Property of 3-Bromocyclohexane-1,2-dione

Chemical Property:

• XLogP3: 0.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 189.96294
• Heavy Atom Count: 9
• Complexity: 153

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1CC(C(=O)C(=O)C1)Br

Technology Process of 3-Bromocyclohexane-1,2-dione

There total 2 articles about 3-Bromocyclohexane-1,2-dione 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: 47.0%

cyclohexane-1,2-dione (765-87-7) → 3-bromocyclohexane-1,2-dione (24829-91-2)

Guidance literature:

With bromine; In diethyl ether; at 0 - 20 ℃;

DOI:10.1016/j.tetlet.2011.05.028

Reference yield:

→ 3-bromocyclohexane-1,2-dione (24829-91-2)

Guidance literature:

3-Brom-2-hydroxy-2-N-acetylaminocyclohexanon, Wasser, 100grad;

Reference yield: 73.0%

3-bromocyclohexane-1,2-dione (24829-91-2) + benzenecarbothioamide (2227-79-4) → C13H11NOS (1314243-52-1)

Guidance literature:

In ethanol; for 15h; Reflux;

DOI:10.1016/j.tetlet.2011.05.028

upstream raw materials:

cyclohexane-1,2-dione

Downstream raw materials:

2-(3-methoxy-4-(3-methyl-1H-1,2,4-triazol-1-yl)phenylamino)-6,7-dihydrobenzo[d]thiazol-4(5H)-one

2-amino-6,7-dihydrobenzo[d]thiazol-4(5H)-one

C₁₄H₁₃NO₂S

C₁₃H₁₂N₂O₂