13-Bromo-1-tridecanol

Base Information

• Chemical Name: 13-Bromo-1-tridecanol
• CAS No.: 116754-58-6
• Molecular Formula: C13H27BrO
• Molecular Weight: 279.261
• European Community (EC) Number: 672-419-2
• DSSTox Substance ID: DTXSID30364667
• Wikidata: Q72513177
• Mol file: 116754-58-6.mol

Synonyms:13-Bromo-1-tridecanol;13-bromotridecan-1-ol;116754-58-6;1-Tridecanol, 13-bromo-;13-bromo-tridecanol;13-bromo-tridecan-1-ol;13-bromanyltridecan-1-ol;SCHEMBL2245838;DTXSID30364667;BCP19148;BBL028690;MFCD00482035;STK709216;AKOS005522597;AS-38597;CS-0082398;FT-0642848;A803666;J-003475

Chemical Property of 13-Bromo-1-tridecanol

Chemical Property:

• Vapor Pressure: 6.87E-06mmHg at 25°C
• Melting Point: 59 °C
• Refractive Index: 1.475
• Boiling Point: 338°C at 760mmHg
• PKA: 15.20±0.10(Predicted)
• Flash Point: 128.8°C
• PSA: 20.23000
• Density: 1.1g/cm³
• LogP: 4.66470
• Storage Temp.: 2-8°C
• XLogP3: 5.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 12
• Exact Mass: 278.12453
• Heavy Atom Count: 15
• Complexity: 107

Purity/Quality:

99% ^*data from raw suppliers

13-Bromo-1-tridecanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CCCCCCO)CCCCCCBr
• Uses: 13-Bromo-1-tridecanol is used in the synthesis of quinol fatty alcohols (QFA) which shows a very potent activity on axonal growth.

Technology Process of 13-Bromo-1-tridecanol

There total 13 articles about 13-Bromo-1-tridecanol 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: 99.0%

1,13-tridecanediol (13362-52-2) → 13-bromo-1-tridecylalcohol (116754-58-6)

Guidance literature:

With hydrogen bromide; In water; toluene; for 48h; Reflux;

Reference yield: 93.0%

2-(13-Bromo-tridec-2-ynyloxy)-tetrahydro-pyran (116452-11-0) → 13-bromo-1-tridecylalcohol (116754-58-6) + 2-[(13-bromotridecyl)oxy]tetrahydro-2H-pyran (116452-12-1)

Guidance literature:

With hydrogen; platinum(IV) oxide; In ethyl acetate; for 15h;

Reference yield:

brassylic acid (505-52-2) → 13-bromo-1-tridecylalcohol (116754-58-6)

Guidance literature:

Multi-step reaction with 3 steps

1: sulfuric acid / Heating

2: LiAlH₄ / diethyl ether / 0 °C

3: HBr / benzene / Heating

With lithium aluminium tetrahydride; sulfuric acid; hydrogen bromide; In diethyl ether; benzene;

DOI:10.1002/chem.200601866

upstream raw materials:

1,13-tridecanediol

12-tridecenyl alcohol

2-(13-Bromo-tridec-2-ynyloxy)-tetrahydro-pyran

methyl ω-bromotridecanoate

Downstream raw materials:

15-hydroxylpentadecanoic acid

13-bromotridecanoic acid

1-(14-hydroxytetradecyl-1-phenylsulfonyl)-2,6,6-trimethyl-1-cyclohexene

(((13-bromotridecyl)oxy)methyl)benzene