2-Iodothiazole

Base Information

• Chemical Name: 2-Iodothiazole
• CAS No.: 3034-54-6
• Molecular Formula: C3H2INS
• Molecular Weight: 211.026
• Hs Code.: 2934100090
• European Community (EC) Number: 821-954-1
• DSSTox Substance ID: DTXSID80446447
• Nikkaji Number: J1.498.706A
• Wikidata: Q82265081
• ChEMBL ID: CHEMBL4592121
• Mol file: 3034-54-6.mol

Synonyms:2-Iodothiazole;3034-54-6;Thiazole, 2-iodo-;2-iodo-1,3-thiazole;iodo-thiazole;2-Iodo-thiazole;SCHEMBL172966;CHEMBL4592121;DTXSID80446447;VAQSRTGFMKWNIH-UHFFFAOYSA-N;AMY27328;MFCD02094167;AKOS015957424;SB74238;CS-0085254;FT-0733891;EN300-83016;F70118

Chemical Property of 2-Iodothiazole

Chemical Property:

• Vapor Pressure: 0.0896mmHg at 25°C
• Refractive Index: 1.68
• Boiling Point: 232.5 °C at 760 mmHg
• PKA: 0.90±0.10(Predicted)
• Flash Point: 94.4 °C
• PSA: 41.13000
• Density: 2.239 g/cm³
• LogP: 1.74770
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 210.89527
• Heavy Atom Count: 6
• Complexity: 50.1

Purity/Quality:

99% ^*data from raw suppliers

2-Iodothiazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CSC(=N1)I

Technology Process of 2-Iodothiazole

There total 6 articles about 2-Iodothiazole 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: 88.0%

1,3-thiazole (288-47-1) → 2-iodo-1,3-thiazole (3034-54-6)

Guidance literature:

1,3-thiazole; With chloromagnesium diisopropylamide; In tetrahydrofuran; at 20 ℃; for 24h;

With iodine; In tetrahydrofuran; at 20 ℃; for 1h; Further stages.;

DOI:10.1039/b007376h

Reference yield: 66.0%

2-thiazolylamine (96-50-4) → 2-iodo-1,3-thiazole (3034-54-6)

Guidance literature:

With copper(II) sulphate hydrate; phosphoric acid; nitric acid; sodium iodide; sodium nitrite; In water; at 0 - 7 ℃; for 6h;

DOI:10.1055/s-0031-1289710

Reference yield: 22.0%

1,3-thiazole (288-47-1) → 2-iodo-1,3-thiazole (3034-54-6) + 2,5-diiodo-1,3-thiazole (108306-62-3)

Guidance literature:

1,3-thiazole; With 2,2,6,6-tetramethyl-piperidine; n-butyllithium; dichloro(N,N,N’,N‘-tetramethylethylenediamine)zinc; In tetrahydrofuran; hexane; at 20 ℃; for 2h;

With iodine; In tetrahydrofuran; hexane; at 20 ℃; Further stages.;

DOI:10.1021/jo7020345

upstream raw materials:

2,4,6-triphenyl-1-thiazol-2-yl-pyridinium; iodide

1,3-thiazole

2-thiazolylamine

Downstream raw materials:

2-(2-phenylethynyl)thiazole

1-Phenylsulfonyl-3-thiazol-2-ylindole

C₂₆H₂₈N₂O₄S

C₂₅H₂₆N₂O₃S

Refernces

• 1、 Grubb, Alan M.,Schmidt, Michael J.,Seed, Alexander J.,Sampson, Paul. "Convenient preparation of halo-1,3-thiazoles: Important building blocks for materials and pharmaceutical synthesis". experimental part. p. 1026 - 1029. Retrieved 2012/05/05.
• 2、 Shilai, Manabu,Kondo, Yoshinori,Sakamoto, Takao. "Selective metallation of thiophene and thiazole rings with magnesium amide base". . p. 442 - 444. Retrieved 2007/10/03.