4-Tetradecylbenzenesulfonic acid

Base Information

• Chemical Name: 4-Tetradecylbenzenesulfonic acid
• CAS No.: 47377-16-2
• Molecular Formula: C20H34 O3 S
• Molecular Weight: 354.554
• European Community (EC) Number: 256-311-9
• UNII: MA1C9KHK69
• DSSTox Substance ID: DTXSID1068489
• Nikkaji Number: J181.042A
• Wikidata: Q27283751
• Mol file: 47377-16-2.mol

Synonyms:4-TETRADECYLBENZENESULFONIC ACID;47377-16-2;4-Tetradecylbenzenesulphonic acid;Benzenesulfonic acid, 4-tetradecyl-;UNII-MA1C9KHK69;MA1C9KHK69;EINECS 256-311-9;SCHEMBL2733171;DTXSID1068489;P-TETRADECYLBENZENESULFONIC ACID;BENZENESULFONIC ACID, 4-TETRADECYL- P-;SR-01000944514;SR-01000944514-1;Q27283751

Chemical Property of 4-Tetradecylbenzenesulfonic acid

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 62.75000
• Density: 1.033g/cm³
• LogP: 7.25770
• XLogP3: 8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 14
• Exact Mass: 354.22286612
• Heavy Atom Count: 24
• Complexity: 378

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCC1=CC=C(C=C1)S(=O)(=O)O

Technology Process of 4-Tetradecylbenzenesulfonic acid

There total 4 articles about 4-Tetradecylbenzenesulfonic acid 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: 76.0%

tetradecylbenzene (1459-10-5) → 4-tetradecylbenzenesulfonic acid (47377-16-2)

Guidance literature:

With chlorosulfonic acid; In 1,2-dichloro-ethane; at 20 ℃;

Reference yield:

1-Bromotetradecane (112-71-0) → 4-tetradecylbenzenesulfonic acid (47377-16-2)

Guidance literature:

Multi-step reaction with 2 steps

1.1: Mg / diethyl ether / 2 h / Heating

1.2: 71 percent / NiCl₂(dppp) / diethyl ether / Heating

2.1: chlorosulfonic acid / 1,2-dichloro-ethane / 20 °C

With chlorosulfonic acid; magnesium; In diethyl ether; 1,2-dichloro-ethane;

DOI:10.1002/1521-3765(20020517)8:10<2248::AID-CHEM2248>3.0.CO;2-B

Reference yield:

chlorobenzene (108-90-7) → 4-tetradecylbenzenesulfonic acid (47377-16-2)

Guidance literature:

Multi-step reaction with 2 steps

1.1: Mg / diethyl ether / 2 h / Heating

1.2: 71 percent / NiCl₂(dppp) / diethyl ether / Heating

2.1: chlorosulfonic acid / 1,2-dichloro-ethane / 20 °C

With chlorosulfonic acid; magnesium; In diethyl ether; 1,2-dichloro-ethane;

DOI:10.1002/1521-3765(20020517)8:10<2248::AID-CHEM2248>3.0.CO;2-B

upstream raw materials:

tetradecylbenzene

1-Bromotetradecane

chlorobenzene

Downstream raw materials:

Mn(C₅H₇O₂)2(O₃SC₆H₄C₁₄H₂₉)

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