1-Bromopentadecane

Base Information

• Chemical Name: 1-Bromopentadecane
• CAS No.: 629-72-1
• Molecular Formula: C15H31Br
• Molecular Weight: 291.315
• European Community (EC) Number: 211-104-2
• NSC Number: 133440
• DSSTox Substance ID: DTXSID8049339
• Nikkaji Number: J45.692F
• Wikidata: Q63409077
• ChEMBL ID: CHEMBL3183401
• Mol file: 629-72-1.mol

Synonyms:1-BROMOPENTADECANE;629-72-1;Pentadecyl bromide;Pentadecane, 1-bromo-;1-BroMopentadecane--d3;1-BroMopentadecane--d4;DTXSID8049339;EINECS 211-104-2;NSC 133440;1219805-83-0;1-bromo pentadecane;1-bromo-pentadecane;n-Pentadecyl bromide;NSC133440;C(CCCCCCBr)CCCCCCCC;1-Bromopentadecane, 97%;C15H31Br;SCHEMBL422449;C15-H31-Br;CHEMBL3183401;DTXCID2029296;Tox21_202861;MFCD00000229;AKOS009031600;NSC-133440;NCGC00260407-01;AS-57072;CAS-629-72-1;B0936;FT-0607541;EN300-19410;D88716;A868291;Q63409077

Chemical Property of 1-Bromopentadecane

Chemical Property:

• Appearance/Colour: Clear clrless to pale yellow liquid after melting
• Vapor Pressure: <1 mm Hg ( 20 °C)
• Melting Point: 17-19 °C(lit.)
• Refractive Index: n20/D 1.461(lit.)
• Boiling Point: 321.9 °C at 760 mmHg
• Flash Point: 133.7 °C
• PSA: 0.00000
• Density: 1.006 g/cm³
• LogP: 6.47250
• Storage Temp.: 2-8°C
• Solubility.: Chloroform, Methanol (Slightly)
• Water Solubility.: Not miscible in water.
• XLogP3: 8.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 13
• Exact Mass: 290.16091
• Heavy Atom Count: 16
• Complexity: 112

Purity/Quality:

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

1-Bromopentadecane ^*data from reagent suppliers

Safty Information:

• Safety Statements: 23-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCBr
• Uses: 1-Bromopentadecane has been used as regent in the synthesis of (S)-eicos-(4E)-en-1-yn-3-ol, a bioactive component of the marine sponge Cribrochalina vasculum.

Technology Process of 1-Bromopentadecane

There total 27 articles about 1-Bromopentadecane 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: 98.0%

N-palmitoxy-2-pyridinethione (89025-67-2) → 2-<(trichloromethyl)thio>pyridine (66832-24-4) + pentadecyl bromide (629-72-1)

Guidance literature:

With Bromotrichloromethane; In tetrachloromethane; at 20 ℃; for 0.0833333h; Yields of byproduct given; Irradiation; light source: tungsten;

DOI:10.1016/S0040-4039(01)80425-1

Reference yield: 96.0%

Bromotrichloromethane (75-62-7) + 3-palmitoyloxy-4-phenylthiazolin-2(3H)-thione (106130-34-1) → pentadecyl bromide (629-72-1) + 5-phenyl-2-trichloromethylthiothiazole (106130-40-9)

Guidance literature:

In benzene; for 2h; Ambient temperature; Irradiation;

Reference yield: 95.0%

n-hexadecanoyl chloride (112-67-4) → 2-<(trichloromethyl)thio>pyridine (66832-24-4) + pentadecyl bromide (629-72-1)

Guidance literature:

With Bromotrichloromethane; 2-mercaptopyridine-1-oxide sodium salt; dmap; at 105 ℃; for 1.5h;

DOI:10.1016/S0040-4020(01)97173-X

upstream raw materials:

pentadecanol

1-pentadecene

silver palmitate

1-hexadecylcarboxylic acid

Downstream raw materials:

Pentadecyl-(3-hydroxy-phenyl)-aether

1,3-bis-pentadecyloxy-benzene

2-n-Pentadecylamino-ethanthioschwefelsaeure

methyl hexacosanoate

Refernces

• 1、 Ho, Jonathan Z.,Wallace, Michael A.,Tang, Yui S.,Zhang, Andy S.,Braun, Matthew P.. "Synthesis of [14C] acids from their unlabeled counterparts and application toward a novel [14C] labeled hepatitis C virus polymerase inhibitor". . p. 251 - 253. Retrieved 2011/05/02.
• 2、 Barton,Jaszberenyi,Tang. "Photolytic generation of carbon radicals from Barton esters: Recent developments". . p. 3381 - 3384. Retrieved 2007/10/02.