1-Bromo-4-decylbenzene

Base Information

• Chemical Name: 1-Bromo-4-decylbenzene
• CAS No.: 106418-67-1
• Molecular Formula: C16H25Br
• Molecular Weight: 297.279
• Hs Code.: 2903999090
• DSSTox Substance ID: DTXSID60548534
• Nikkaji Number: J534.030F
• Wikidata: Q72453983
• Mol file: 106418-67-1.mol

Synonyms:1-Bromo-4-decylbenzene;106418-67-1;1-Bromo-4-n-decylbenzene;4-Decylbromobenzene;Benzene, 1-bromo-4-decyl-;C16H25Br;SCHEMBL3178688;DTXSID60548534;SWTGVSCSSDYINB-UHFFFAOYSA-N;MFCD00061112;AKOS015835624;DS-6413;B1611;CS-0152250;D83470

Chemical Property of 1-Bromo-4-decylbenzene

Chemical Property:

• Vapor Pressure: 0.000119mmHg at 25°C
• Refractive Index: 1.507
• Boiling Point: 346 °C at 760 mmHg
• Flash Point: 205.7 °C
• PSA: 0.00000
• Density: 1.099 g/cm³
• LogP: 6.13230
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 7.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 9
• Exact Mass: 296.11396
• Heavy Atom Count: 17
• Complexity: 159

Purity/Quality:

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

1-Bromo-4-decylbenzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCC1=CC=C(C=C1)Br

Technology Process of 1-Bromo-4-decylbenzene

There total 18 articles about 1-Bromo-4-decylbenzene 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: 64.0%

1-(4-bromophenyl)decan-1-one (134443-99-5) → 1-bromo-4-n-decyl benzene (106418-67-1)

Guidance literature:

With hydrazine hydrate; potassium hydroxide; In octanol; for 3h; Reflux; Inert atmosphere;

DOI:10.1021/ma101709h

Reference yield: 61.0%

4-n-decylbenzenediazonium tetrafluoroborate → 1-bromo-4-n-decyl benzene (106418-67-1)

Guidance literature:

With 18-crown-6 ether; Bromotrichloromethane; potassium acetate; In tetrahydrofuran; for 3h; Ambient temperature;

DOI:10.1021/jo00380a012

Reference yield: 59.0%

→ 1-bromo-4-n-decyl benzene (106418-67-1)

Guidance literature:

upstream raw materials:

1.4-dibromobenzene

n-decyl magnesium bromide

decylbenzene

1-(4-bromophenyl)decan-1-one

Downstream raw materials:

C₃₄H₅₂

(4-decylphenyl)boronic acid

4,8-bis(4-decylphenylethynyl)benzo[1,2-b:4,5-b']dithiophene

2,6-dibromo-4,8-bis(4-decylphenylethynyl)benzo-[1,2-b:4,5-b']dithiophene

Refernces

• 1、 Basch, Corey H.,Liao, Jennie,Xu, Jianyu,Piane, Jacob J.,Watson, Mary P.. "Harnessing Alkyl Amines as Electrophiles for Nickel-Catalyzed Cross Couplings via C-N Bond Activation". supporting information. p. 5313 - 5316. Retrieved 2017/04/27.
• 2、 Di Franco, Thomas,Boutin, Nicolas,Hu, Xile. "Suzuki-miyaura cross-coupling reactions of unactivated alkyl halides catalyzed by a nickel pincer complex". . p. 2949 - 2958. Retrieved 2013/11/06.