1,7-Dibromo-heptan-4-one

Base Information

• Chemical Name: 1,7-Dibromo-heptan-4-one
• CAS No.: 89774-18-5
• Molecular Formula: C7H12 Br2 O
• Molecular Weight: 271.98
• Hs Code.: 2914700090
• DSSTox Substance ID: DTXSID80537723
• Wikidata: Q82412811
• Mol file: 89774-18-5.mol

Synonyms:89774-18-5;1,7-DIBROMO-HEPTAN-4-ONE;4-Heptanone,1,7-dibromo-;1,7-DIBROMOHEPTAN-4-ONE;SCHEMBL540009;DTXSID80537723;AKOS015967247

Chemical Property of 1,7-Dibromo-heptan-4-one

Chemical Property:

• Vapor Pressure: 0.00167mmHg at 25°C
• Refractive Index: 1.508
• Boiling Point: 294°C at 760 mmHg
• Flash Point: 95.9°C
• PSA: 17.07000
• Density: 1.623g/cm³
• LogP: 2.90570
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 6
• Exact Mass: 271.92344
• Heavy Atom Count: 10
• Complexity: 83.6

Purity/Quality:

99%min ^*data from raw suppliers

1,7-DIBROMO-HEPTAN-4-ONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CC(=O)CCCBr)CBr

Technology Process of 1,7-Dibromo-heptan-4-one

There total 4 articles about 1,7-Dibromo-heptan-4-one 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: 73.0%

(E)-4,4’,5,5’-tetrahydro-2’H,3H-[2,3’-bifuranylidene]-2’-one (107825-25-2) → 1,7-Dibromo-4-heptanone (89774-18-5)

Guidance literature:

(E)-4,4’,5,5’-tetrahydro-2’H,3H-[2,3’-bifuranylidene]-2’-one; With boron tribromide; In dichloromethane; at 20 ℃;

With water; In dichloromethane;

DOI:10.1055/s-2004-830893

Reference yield:

1,6-dioxa[4,4]spirononane (76041-89-9,176-25-0) → 1,7-Dibromo-4-heptanone (89774-18-5)

Guidance literature:

With hydrogen bromide;

DOI:10.1021/ja01317a046 DOI:10.1021/ja01326a505

Reference yield:

4-butanolide (96-48-0) → 1,7-Dibromo-4-heptanone (89774-18-5)

Guidance literature:

With hydrogen bromide; Yield given. Multistep reaction; 2) Reflux, 30 min.;

DOI:10.1002/jhet.5570210438

upstream raw materials:

1,6-dioxa[4,4]spirononane

4-butanolide

(E)-4,4’,5,5’-tetrahydro-2’H,3H-[2,3’-bifuranylidene]-2’-one

Downstream raw materials:

hydrogen bromide

1-(3-Trifluoromethylphenyl)-9a-morpholino-1,3a,4,5,7,8,9,9a-octahydrothiocino<4,5-d>-1,2,3-triazole

3-(4-Nitrophenyl)-9a-morpholino-3a,4,5,8,9,9a-hexahydrothiocino<4,5-d>isozazole

1-(4-Nitrophenyl)-9a-morpholino-1,3a,4,5,7,8,9,9a-octahydrothiocino<4,5-d>-1,2,3-triazole

Refernces

• 1、 Bellur, Esen,Langer, Peter. "Reaction of 2-alkylidenetetrahydrofurans with boron tribromide: Chemo- and regioselective synthesis of 6-bromo-3-oxoalkanoates by application of a 'cyclization-ring-opening' strategy". . p. 2172 - 2174. Retrieved 2007/10/03.