6-Bromohexanal

Base Information

• Chemical Name: 6-Bromohexanal
• CAS No.: 57978-00-4
• Molecular Formula: C6H11BrO
• Molecular Weight: 179.057
• Hs Code.: 2912190090
• European Community (EC) Number: 877-458-0
• DSSTox Substance ID: DTXSID40448361
• Nikkaji Number: J992.490F
• Wikidata: Q82267328
• Mol file: 57978-00-4.mol

Synonyms:6-bromohexanal;57978-00-4;6-bromo-hexanal;Hexanal, 6-bromo-;SCHEMBL1720853;DTXSID40448361;SSKLZGVVAYKNSS-UHFFFAOYSA-N;AKOS025295487;EN300-6499167;A851393

Chemical Property of 6-Bromohexanal

Chemical Property:

• Boiling Point: 72-75 °C(Press: 1.5 Torr)
• PSA: 17.07000
• Density: 1.0192 g/cm3(Temp: 25 °C)
• LogP: 2.14060
• Storage Temp.: Hygroscopic, Refrigerator, under inert atmosphere
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 177.99933
• Heavy Atom Count: 8
• Complexity: 54.5

Purity/Quality:

98%,99%, ^*data from raw suppliers

6-Bromohexanal ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C(CCC=O)CCBr

Technology Process of 6-Bromohexanal

There total 3 articles about 6-Bromohexanal 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: 75.0%

O-6-oxohexyl dimethylcarbamothioate (1110667-69-0) → 1 ,6-dibromohexane (629-03-8) + 6-bromohexanal (57978-00-4)

Guidance literature:

With 4-(bromomethylene)morpholin-4-ium bromide; In dichloromethane; at 0 ℃; for 1h; Inert atmosphere;

DOI:10.1055/s-0028-1083195

Reference yield:

cyclohexanol (108-93-0) → 6-bromohexanal (57978-00-4) + cyclohexanone (108-94-1,11119-77-0,9003-41-2,9075-99-4)

Guidance literature:

With lead(IV) acetate; potassium bromide; In benzene; at 80 ℃; Yield given. Yields of byproduct given;

DOI:10.1007/BF00959880

Reference yield:

1,5-dibromo-pentane (111-24-0) → 6-bromohexanal (57978-00-4) + cyclohexanone (108-94-1,11119-77-0,9003-41-2,9075-99-4)

Guidance literature:

In various solvent(s); for 24h; Ambient temperature;

DOI:10.1246/bcsj.62.2728

upstream raw materials:

cyclohexanol

1,5-dibromo-pentane

O-6-oxohexyl dimethylcarbamothioate

Downstream raw materials:

(E)-1-Benzenesulfonyl-7-bromo-hept-1-en-3-ol

cyclohexanol

Benzoic acid (2Z,4E,6E,10Z)-(1S,8R)-16,16-bis-ethylsulfanyl-8-hydroxy-1-(3-methoxycarbonyl-propyl)-hexadeca-2,4,6,10-tetraenyl ester

Benzoic acid (2Z,4E,6E,10Z)-(1S,8R)-8-(tert-butyl-diphenyl-silanyloxy)-16,16-bis-ethylsulfanyl-1-(3-methoxycarbonyl-propyl)-hexadeca-2,4,6,10-tetraenyl ester

Refernces

• 1、 Yamashita, Masakazu,Uchida, Masaya,Tashika, Haruyoshi,Suemitsu, Rikisaku. "Synthesis of Five-Membered Cyclic Ketones Using Potassium Tetracarbonylferrate(2-)". . p. 2728 - 2729. Retrieved 2007/10/02.