Lauryl thiocyanate

Base Information

• Chemical Name: Lauryl thiocyanate
• CAS No.: 765-15-1
• Molecular Formula: C13H25 N S
• Molecular Weight: 227.414
• Hs Code.: 2930909090
• European Community (EC) Number: 653-585-5
• NSC Number: 1481
• UNII: 202K2UN34E
• DSSTox Substance ID: DTXSID5042089
• Nikkaji Number: J6.969H
• Wikidata: Q27253387
• ChEMBL ID: CHEMBL3183269
• Mol file: 765-15-1.mol

Synonyms:n-Dodecyl thiocyanate;Lauryl thiocyanate;765-15-1;Dodecyl thiocyanate;Lauryl rhodanate;Lorol thiocyanate;Thiocyanic acid, dodecyl ester;Laurylrhodanide;LORO;Dodecane, 1-thiocyanato-;Laurylthiokyanat;1-Dodecyl thiocyanate;ENT 114;1-thiocyanatododecane;Caswell No. 523;Laurylthiokyanat [Czech];NSC 1481;EPA Pesticide Chemical Code 068101;BRN 1770396;UNII-202K2UN34E;AI3-00114;DTXSID5042089;202K2UN34E;NSC-1481;Laurylrhodanid;1-thiocyanato-dodecane;WLN: NCS12;n-Dodecyl thiocyanate, 97%;SCHEMBL1873873;DODECANE, 1-THIOCYANATO;CHEMBL3183269;DTXCID3022089;ENT-114;NSC1481;C13-H25-N-S;Tox21_301924;MFCD00019773;AKOS028108570;NCGC00255975-01;CAS-765-15-1;LS-152681;FT-0632910;E80422;Q27253387

Chemical Property of Lauryl thiocyanate

Chemical Property:

• Vapor Pressure: 0.0009mmHg at 25°C
• Refractive Index: 1.4680
• Boiling Point: 180°C 18mm
• Flash Point: 180°C/18mm
• PSA: 49.09000
• Density: 0,896 g/cm3
• LogP: 5.12158
• XLogP3: 6.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 11
• Exact Mass: 227.17077098
• Heavy Atom Count: 15
• Complexity: 159

Purity/Quality:

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

DODECYL THIOCYANATE Aldrich ^*data from reagent suppliers

Safty Information:

• Statements: 22-32-36/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCSC#N

Technology Process of Lauryl thiocyanate

There total 17 articles about Lauryl thiocyanate 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: 100.0%

C26H50N4S2 → 1-dodecylthiocyanate (765-15-1)

Guidance literature:

for 2h; UV-irradiation;

DOI:10.1002/anie.202106230

Reference yield: 92.0%

1-Iodododecane (4292-19-7) + trimethylsilyl isothiocyanate (2290-65-5) → 1-dodecylthiocyanate (765-15-1)

Guidance literature:

With tetrabutyl ammonium fluoride; In tetrahydrofuran; at 20 ℃; for 5h;

DOI:10.1016/S0040-4039(01)01846-9

Reference yield: 91.0%

ammonium thiocyanate (1147550-11-5) + 1-dodecylthiol (112-55-0) → 1-dodecylthiocyanate (765-15-1)

Guidance literature:

With bromine; triphenylphosphine; In acetonitrile; at 20 ℃;

DOI:10.1016/S0040-4039(02)00421-5

upstream raw materials:

potassium thioacyanate

1-dodecylbromide

sodium thiocyanide

sodium cyanide

Downstream raw materials:

1-dodecylthiol

didodecyl disulfide

1-dodecylsulfanylmethylbenzene

Refernces

• 1、 Zhang, Guofu,Xuan, Lidi,Zhao, Yiyong,Ding, Chengrong. "Sulfuryl Fluoride Promoted Thiocyanation of Alcohols: A Practical Method for Preparing Thiocyanates". supporting information. p. 1413 - 1417. Retrieved 2020/10/02.
• 2、 Bayarmagnai, Bilguun,Matheis, Christian,Jouvin, Kvin,Goossen, Lukas J.. "Synthesis of difluoromethyl thioethers from difluoromethyl trimethylsilane and organothiocyanates generated in situ". supporting information. p. 5753 - 5756. Retrieved 2015/06/10.