N,N-Dicyclohexyl-2-benzothiazolesulfenamide

Base Information

• Chemical Name: N,N-Dicyclohexyl-2-benzothiazolesulfenamide
• CAS No.: 4979-32-2
• Deprecated CAS: 110279-33-9
• Molecular Formula: C19H26N2S2
• Molecular Weight: 346.561
• European Community (EC) Number: 225-625-8
• UNII: 5OBS6299M8
• DSSTox Substance ID: DTXSID3027584
• Nikkaji Number: J13.370A
• Wikidata: Q27262639
• ChEMBL ID: CHEMBL3186869
• Mol file: 4979-32-2.mol

Synonyms:N,N-DCBS compound;N,N-dicyclohexyl-2-benzothiazolesulfenamide

Chemical Property of N,N-Dicyclohexyl-2-benzothiazolesulfenamide

Chemical Property:

• Appearance/Colour: light yellow powder
• Vapor Pressure: 2.25E-11mmHg at 25°C
• Melting Point: 104 °C
• Refractive Index: 1.632
• Boiling Point: 486.5 °C at 760 mmHg
• PKA: 0.43±0.20(Predicted)
• Flash Point: 248 °C
• PSA: 69.67000
• Density: 1.20 g/cm³
• LogP: 6.27080
• Storage Temp.: Sealed in dry,Room Temperature
• Water Solubility.: 1.9μg/L at 25℃
• XLogP3: 6.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 346.15374118
• Heavy Atom Count: 23
• Complexity: 348

Purity/Quality:

99% ^*data from raw suppliers

N,N-Dicyclohexyl-2-benzothiazolsulfeneAmide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(CC1)N(C2CCCCC2)SC3=NC4=CC=CC=C4S3

Technology Process of N,N-Dicyclohexyl-2-benzothiazolesulfenamide

There total 5 articles about N,N-Dicyclohexyl-2-benzothiazolesulfenamide 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: 96.2%

2-Mercaptobenzothiazole (149-30-4,118090-09-8) + N-cyclohexyl-cyclohexanamine (101-83-7) → N,N-dicyclohexyl-2-benzthiazolylsulfenamide (4979-32-2)

Guidance literature:

2-Mercaptobenzothiazole; With sodium hydroxide; at 50 ℃; for 2h;

N-cyclohexyl-cyclohexanamine; With hydrogenchloride; In water; at 35 ℃;

With sodium hypochlorite; In water; toluene; at 30 ℃; for 0.000555556h; Temperature;

Reference yield: 61.2%

cyclohexylamine (108-91-8,157973-60-9) + 2-Mercaptobenzothiazole (149-30-4,118090-09-8) → N,N-dicyclohexyl-2-benzthiazolylsulfenamide (4979-32-2)

Guidance literature:

With sodium hypochlorite; at 45 ℃;

DOI:10.1016/j.ejmech.2015.02.031

Reference yield:

2-Mercaptobenzothiazole (149-30-4,118090-09-8) + N-cyclohexyl-cyclohexanamine (101-83-7) + sodium sulfite (7757-83-7) → N,N-dicyclohexyl-2-benzthiazolylsulfenamide (4979-32-2)

Guidance literature:

With sodium hypochlorite; In water; isopropyl alcohol;

upstream raw materials:

di(benzothiazol-2-yl)disulfide

N-cyclohexyl-cyclohexanamine

2-Mercaptobenzothiazole

sodium sulfite

Downstream raw materials:

CoCl₂(SC(CH)4CNCSN(C₆H₁₁)2)2

Zn(N,N-dicyclohexyl-2-benzthiazolylsulfenamide)2Cl₂

(N,N-dicyclohexyl-2-benzothiazolesulfenamide)copper(II) bromide

CoBr₂(SC(CH)4CNCSN(C₆H₁₁)2)2

Refernces

• 1、 Li, Guangxiao,Sun, Qian,Wang, Dongling,Xu, Ying,Zhuang, Jingjing,Zhang, Qian,Sun, Dequn. "Fluoroalkane thioheterocyclic derivatives and their antitumor activity". . p. 423 - 430. Retrieved 2015/03/14.
• 2、 Brownbridge, P.,Jowett, I. C.. "ON THE REACTION OF BENZOTHIAZOL-2-YL SULPHENAMIDES WITH PHOSPHITES". . p. 311 - 318. Retrieved 2007/10/02.