1-Bromo-7-methyloctane

Base Information

• Chemical Name: 1-Bromo-7-methyloctane
• CAS No.: 54088-99-2
• Molecular Formula: C9H19Br
• Molecular Weight: 207.15
• Hs Code.: 2903399090
• DSSTox Substance ID: DTXSID90545531
• Wikidata: Q82423060
• Mol file: 54088-99-2.mol

Synonyms:1-BROMO-7-METHYLOCTANE;54088-99-2;1-bromo-7-methyl-octane;SCHEMBL5883624;DTXSID90545531;AKOS017528240

Chemical Property of 1-Bromo-7-methyloctane

Chemical Property:

• Refractive Index: 1.4424 (estimate)
• Boiling Point: 212.49°C (estimate)
• PSA: 0.00000
• Density: 1.0753 (estimate)
• LogP: 3.98780
• XLogP3: 5.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 6
• Exact Mass: 206.06701
• Heavy Atom Count: 10
• Complexity: 59.7

Purity/Quality:

99% ^*data from raw suppliers

1-Bromo-7-methyloctane ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)CCCCCCBr

Technology Process of 1-Bromo-7-methyloctane

There total 10 articles about 1-Bromo-7-methyloctane 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: 91.0%

8-bromo-2-methyl-octan-2-ol → 1-bromo-7-methyl-octane (54088-99-2)

Guidance literature:

8-bromo-2-methyl-octan-2-ol; With toluene-4-sulfonic acid; In toluene; at 20 ℃; Reflux;

With palladium on activated charcoal; hydrogen; In ethanol; for 4h; under 1520.1 Torr;

Reference yield: 74.0%

7-methyl-1-octanol (2430-22-0) → 1-bromo-7-methyl-octane (54088-99-2)

Guidance literature:

With N-Bromosuccinimide; triphenylphosphine; In DMF (N,N-dimethyl-formamide); at 20 ℃; for 0.5h;

Reference yield: 44.0%

1 ,6-dibromohexane (629-03-8) + isopropylmagnesium bromide (920-39-8) → 2,9-dimethyl-decane (1002-17-1) + 1-bromo-7-methyl-octane (54088-99-2)

Guidance literature:

With copper(I) bromide; In tetrahydrofuran; N,N,N,N,N,N-hexamethylphosphoric triamide; for 4h; Product distribution; Heating; Grignard reagent added dropwise to the other reaction partners;

DOI:10.1246/bcsj.59.2035

upstream raw materials:

7-methyl-1-octanol

ethene

isopropyl bromide

1 ,6-dibromohexane

Downstream raw materials:

2-Isononylamino-ethanthioschwefelsaeure

Refernces

• 1、 -. "A marine natural product (R, Z) - 24-methyl-twenty-five carbon -16-butene -2,4-diyne -1,6-diol and its antimer synthesis method". Paragraph 0013; 0065-0066. . Retrieved 2020/05/06.
• 2、 -. "Chain-modified pyridino-N substituted nicotine compounds for use in the treatment of CNS pathologies". Page 12. . Retrieved 2010/02/05.