6-Iodobenzo[d]thiazol-2-amine

Base Information

• Chemical Name: 6-Iodobenzo[d]thiazol-2-amine
• CAS No.: 16582-58-4
• Molecular Formula: C7H5IN2S
• Molecular Weight: 276.101
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID60393304
• Nikkaji Number: J1.158.789E
• ChEMBL ID: CHEMBL95612
• Mol file: 16582-58-4.mol

Synonyms:6-Iodobenzo[d]thiazol-2-amine;16582-58-4;6-iodo-1,3-benzothiazol-2-amine;2-amino-6-iodobenzothiazole;2-Benzothiazolamine, 6-iodo-;6-Iodobenzothiazole-2-amine;CHEMBL95612;SCHEMBL4830279;DTXSID60393304;WMKLSFIAHMBOTP-UHFFFAOYSA-N;MFCD00996639;STL503514;AKOS016003362;AC-27150;BS-16184;CS-0155727;FT-0745875;D82270;EN300-121707;A882368;Z1741785969

Chemical Property of 6-Iodobenzo[d]thiazol-2-amine

Chemical Property:

• Boiling Point: 389.8±34.0 °C(Predicted)
• PKA: 3.44±0.10(Predicted)
• PSA: 67.15000
• Density: 2.114±0.06 g/cm3(Predicted)
• LogP: 3.06430
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 275.92182
• Heavy Atom Count: 11
• Complexity: 155

Purity/Quality:

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

6-Iodobenzo[d]thiazol-2-amine 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=C1I)SC(=N2)N

Technology Process of 6-Iodobenzo[d]thiazol-2-amine

There total 10 articles about 6-Iodobenzo[d]thiazol-2-amine 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: 73.0%

1-(4-iodophenyl)thiourea (18879-80-6) → 6-iodobenzo[d]thiazol-2-amine (16582-58-4)

Guidance literature:

With bromine; In chloroform; for 6h; Reflux;

Reference yield: 70.0%

potassium thioacyanate (333-20-0) + p-aminoiodobenzene (540-37-4) → 6-iodobenzo[d]thiazol-2-amine (16582-58-4)

Guidance literature:

potassium thioacyanate; p-aminoiodobenzene; With acetic acid; at 20 ℃; Cooling with ice;

With ammonium hydroxide; In water; pH=11;

DOI:10.1016/j.ejmech.2012.03.033

Reference yield: 56.0%

ammonium thiocyanate (1147550-11-5) + p-aminoiodobenzene (540-37-4) → 6-iodobenzo[d]thiazol-2-amine (16582-58-4)

Guidance literature:

With air; alizarine red S-sensitized TiO₂; In acetonitrile; at 25 ℃; for 24h; regioselective reaction; Irradiation; Green chemistry;

DOI:10.1039/c9cy02268f

upstream raw materials:

1-(4-iodophenyl)thiourea

copper(II) thiocyanate

p-aminoiodobenzene

sodium thiocyanide

Downstream raw materials:

2-chloro-6-iodobenzothiazole

C₆H₆INS

bis(4-iodoanilin-2-yl)disulfide

Refernces

• 1、 Hosseini-Sarvari, Mona,Hosseinpour, Zeinab,Koohgard, Mehdi,Sarvestani, Abdollah Masoudi. "ARS-TiO2 photocatalyzed direct functionalization of sp2 C-H bonds toward thiocyanation and cyclization reactions under visible light". . p. 1401 - 1407. Retrieved 2020/03/26.
• 2、 -. "COMPOSITION FOR PROMOTING CARDIAC DIFFERENTIATION OF PLURIPOTENT STEM CELL COMPRISING EGFR INHIBITOR". Paragraph 0143. . Retrieved 2016/03/05.