1-Bromo-2-methyldecane

Base Information

• Chemical Name: 1-Bromo-2-methyldecane
• CAS No.: 127839-47-8
• Molecular Formula: C11H23Br
• Molecular Weight: 235.208
• DSSTox Substance ID: DTXSID60337945
• Mol file: 127839-47-8.mol

Synonyms:1-Bromo-2-methyldecane;127839-47-8;1-Bromo-2-methyldecane #;Decane, 1-bromo-2-methyl-;SCHEMBL14960963;DTXSID60337945;AKOS013991401;EN300-674541

Chemical Property of 1-Bromo-2-methyldecane

Chemical Property:

• Refractive Index: 1.4498 (estimate)
• Boiling Point: 250.97°C (estimate)
• PSA: 0.00000
• Density: 1.0404 (estimate)
• LogP: 4.76800
• XLogP3: 5.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 8
• Exact Mass: 234.09831
• Heavy Atom Count: 12
• Complexity: 81.1

Purity/Quality:

99% ^*data from raw suppliers

1-BROMO-2-METHYLDECANE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCC(C)CBr

Technology Process of 1-Bromo-2-methyldecane

There total 7 articles about 1-Bromo-2-methyldecane 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: 74.0%

2-methyldecan-1-ol (18675-24-6) → 1-bromo-2-methyldecane (127839-47-8)

Guidance literature:

With triphenylphosphine dibromide 1:1 addition complex; In dichloromethane; at 0 - 10 ℃;

DOI:10.1007/BF02059746

Reference yield:

2-methyl decanoic acid (24323-23-7) → 1-bromo-2-methyldecane (127839-47-8)

Guidance literature:

Multi-step reaction with 2 steps

1: 87 percent / LiAlH₄ / diethyl ether / Heating

2: 74 percent / Ph₃PBr₂ / CH₂Cl₂ / 0 - 10 °C

With lithium aluminium tetrahydride; triphenylphosphine dibromide 1:1 addition complex; In diethyl ether; dichloromethane; 1: Reduction / 2: Bromination;

DOI:10.1007/BF02059746

Reference yield:

methyl-octyl-malonic acid (4436-08-2) → 1-bromo-2-methyldecane (127839-47-8)

Guidance literature:

Multi-step reaction with 3 steps

1: 175 °C

2: 87 percent / LiAlH₄ / diethyl ether / Heating

3: 74 percent / Ph₃PBr₂ / CH₂Cl₂ / 0 - 10 °C

With lithium aluminium tetrahydride; triphenylphosphine dibromide 1:1 addition complex; In diethyl ether; dichloromethane; 1: Decarboxylation / 2: Reduction / 3: Bromination;

DOI:10.1007/BF02059746

upstream raw materials:

2-methyldecan-1-ol

Toluene-4-sulfonic acid 2-methyl-decyl ester

1-bromo-octane

2-methyl decanoic acid

Downstream raw materials:

2-methyldecane

Refernces

• 1、 Dobner,Elsner,Nuhn. "Synthesis of methyl branched fatty acid". . p. 758 - 760. Retrieved 2007/10/02.