Tetradecyl isothiocyanate

Base Information

• Chemical Name: Tetradecyl isothiocyanate
• CAS No.: 3224-48-4
• Molecular Formula: C15H29 N S
• Molecular Weight: 255.468
• Hs Code.: 2930909090
• European Community (EC) Number: 671-363-6
• DSSTox Substance ID: DTXSID50185997
• Mol file: 3224-48-4.mol

Synonyms:Tetradecyl isothiocyanate;3224-48-4;1-Isothiocyanatotetradecane;1-Tetradecyl isothiocyanate;n-Tetradecyl isothiocyanate;myristyl isothiocyanate;Tetradecylisothiocyanate;1-Isothiocyanatotetradecane #;SCHEMBL330890;DTXSID50185997;GEO-03397;MFCD00041122;AKOS015839790;FT-0634729

Chemical Property of Tetradecyl isothiocyanate

Chemical Property:

• Vapor Pressure: 0.000388mmHg at 25°C
• Refractive Index: 1.4824
• Boiling Point: 327.3°Cat760mmHg
• Flash Point: 158.8°C
• PSA: 44.45000
• Density: 0.89g/cm³
• LogP: 5.79030
• Sensitive.: Moisture Sensitive
• XLogP3: 8.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 13
• Exact Mass: 255.20207110
• Heavy Atom Count: 17
• Complexity: 185

Purity/Quality:

99% ^*data from raw suppliers

Tetradecyl isothiocyanate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R22:Harmful if swallowed.; R36/37/38:Irritating to eyes, respiratory system and skin.
• Hazard Codes: R22:Harmful if swallowed.; R36/37/38:Irritating to eyes, respiratory system and skin.
• Statements: R22:Harmful if swallowed.; R36/37/38:Irritating to eyes, respiratory system and skin.
• Safety Statements: S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S36/37/39:Wear suitabl

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCN=C=S

Technology Process of Tetradecyl isothiocyanate

There total 1 articles about Tetradecyl isothiocyanate 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:

tetradecylamine (2016-42-4) → 1-tetradecyl isothiocyanate (3224-48-4)

Guidance literature:

With ammonia; water; dann mit Schwefelkohlenstoff, wss.Natriumchlorit-Loesung und Dichlormethan;

Reference yield:

octane-1,8-dioic acid (505-48-6) + 1-tetradecyl isothiocyanate (3224-48-4) + acetic anhydride (108-24-7) + Fmoc-Thr(tBu)-OH (71989-35-0,138797-71-4) + Fmoc-Lys(ivDde)-OH (204777-78-6) + (S)-6-[(Diphenyl-p-tolyl-methyl)-amino]-2-(9H-fluoren-9-ylmethoxycarbonylamino)-hexanoic acid + Nα-(9-fluorenylmethyloxycarbonyl)-Nγ-2,2,4,6,7-pentamethyldihydrobenzofuran-5-sulfonyl-L-arginine (187618-60-6) → C53H99N13O9S

Guidance literature:

Fmoc-Thr(tBu)-OH; With 4-methyl-morpholine; benzotriazol-1-ol; O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; In N,N-dimethyl-formamide; at 20 ℃; for 1h;

With piperidine; In N,N-dimethyl-formamide;

octane-1,8-dioic acid; 1-tetradecyl isothiocyanate; acetic anhydride; Fmoc-Lys(ivDde)-OH; (S)-6-[(Diphenyl-p-tolyl-methyl)-amino]-2-(9H-fluoren-9-ylmethoxycarbonylamino)-hexanoic acid; Nα-(9-fluorenylmethyloxycarbonyl)-Nγ-2,2,4,6,7-pentamethyldihydrobenzofuran-5-sulfonyl-L-arginine; Further stages;

DOI:10.1039/c5ob02339d

Reference yield:

succinic acid (110-15-6) + 1-tetradecyl isothiocyanate (3224-48-4) + N-(fluoren-9-ylmethoxycarbonyl)glycine (29022-11-5) + acetic anhydride (108-24-7) + Fmoc-Thr(tBu)-OH (71989-35-0,138797-71-4) + Fmoc-Lys(ivDde)-OH (204777-78-6) + (S)-6-[(Diphenyl-p-tolyl-methyl)-amino]-2-(9H-fluoren-9-ylmethoxycarbonylamino)-hexanoic acid + Nα-(9-fluorenylmethyloxycarbonyl)-Nγ-2,2,4,6,7-pentamethyldihydrobenzofuran-5-sulfonyl-L-arginine (187618-60-6) → C53H97N15O11S

Guidance literature:

Fmoc-Thr(tBu)-OH; With 4-methyl-morpholine; benzotriazol-1-ol; O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; In N,N-dimethyl-formamide; at 20 ℃; for 1h;

With piperidine; In N,N-dimethyl-formamide;

succinic acid; 1-tetradecyl isothiocyanate; N-(fluoren-9-ylmethoxycarbonyl)glycine; acetic anhydride; Fmoc-Lys(ivDde)-OH; (S)-6-[(Diphenyl-p-tolyl-methyl)-amino]-2-(9H-fluoren-9-ylmethoxycarbonylamino)-hexanoic acid; Nα-(9-fluorenylmethyloxycarbonyl)-Nγ-2,2,4,6,7-pentamethyldihydrobenzofuran-5-sulfonyl-L-arginine; Further stages;

DOI:10.1039/c5ob02339d

upstream raw materials:

tetradecylamine