1-Bromodecane-D2

Base Information

• Chemical Name: 1-Bromodecane-D2
• CAS No.: 81576-60-5
• Molecular Formula: C₁₀H₂₁Br
• Molecular Weight: 223.165
• DSSTox Substance ID: DTXSID901315126
• Mol file: 81576-60-5.mol

Synonyms:1-BROMODECANE-D2;81576-60-5;1-Bromodecane-1,1-d2;1-bromo-1,1-dideuteriodecane;DTXSID901315126

Chemical Property of 1-Bromodecane-D2

Chemical Property:

• XLogP3: 6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 8
• Exact Mass: 222.09522
• Heavy Atom Count: 11
• Complexity: 61.9

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCCCCCCCBr
• Isomeric SMILES: [2H]C([2H])(CCCCCCCCC)Br

Technology Process of 1-Bromodecane-D2

There total 2 articles about 1-Bromodecane-D2 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: 63.0%

n-[1,1-2H2]decanol (42006-99-5) → <1,1-(2)H2>-1-bromo-n-decane (81576-60-5)

Guidance literature:

With pyridine; phosphorus tribromide; In diethyl ether; for 2.5h; Heating;

DOI:10.1021/ja0058684

Reference yield:

decanoic acid ethyl ester (110-38-3) → <1,1-(2)H2>-1-bromo-n-decane (81576-60-5)

Guidance literature:

Multi-step reaction with 2 steps

1: 100 percent / LiAlD₄ / diethyl ether / 2 h / 20 °C

2: 63 percent / pyridine; PBr₃ / diethyl ether / 2.5 h / Heating

With pyridine; lithium aluminium deuteride; phosphorus tribromide; In diethyl ether;

DOI:10.1021/ja0058684

Reference yield: 45.0%

1-hexynyllithium (17689-03-1) + <1,1-(2)H2>-1-bromo-n-decane (81576-60-5) → <7,7-(2)H2>-n-hexadecyne-5 (90425-76-6)

Guidance literature:

DOI:10.1002/oms.1210190106

upstream raw materials:

n-[1,1-²H₂]decanol

decanoic acid ethyl ester

Downstream raw materials:

<7,7-(2)H2>-n-hexadecyne-5