N-1,3-benzothiazol-2-yl-2-chloroacetamide

Base Information

• Chemical Name: N-1,3-benzothiazol-2-yl-2-chloroacetamide
• CAS No.: 3028-02-2
• Molecular Formula: C9H7ClN2OS
• Molecular Weight: 226.686
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID30358849
• Nikkaji Number: J25.685D
• Wikidata: Q82139731
• ChEMBL ID: CHEMBL4876991
• Mol file: 3028-02-2.mol

Synonyms:3028-02-2;N-1,3-benzothiazol-2-yl-2-chloroacetamide;N-(1,3-benzothiazol-2-yl)-2-chloroacetamide;N-Benzothiazol-2-yl-2-chloro-acetamide;N-(benzo[d]thiazol-2-yl)-2-chloroacetamide;SCHEMBL4858014;CHEMBL4876991;DTXSID30358849;MFCD00022860;STK117359;AKOS000115121;BS-10036;FT-0731851;EN300-01694;Z56871614;F2190-0215

Chemical Property of N-1,3-benzothiazol-2-yl-2-chloroacetamide

Chemical Property:

• Refractive Index: 1.722
• PSA: 70.23000
• Density: 1.503 g/cm³
• LogP: 2.54660
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 225.9967617
• Heavy Atom Count: 14
• Complexity: 227

Purity/Quality:

99% ^*data from raw suppliers

N-1,3-Benzothiazol-2-yl-2-chloroacetamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)N=C(S2)NC(=O)CCl

Technology Process of N-1,3-benzothiazol-2-yl-2-chloroacetamide

There total 7 articles about N-1,3-benzothiazol-2-yl-2-chloroacetamide 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: 99.0%

2-amino-benzthiazole (136-95-8,102337-98-4,84293-42-5) + chloroacetyl chloride (79-04-9) → N-benzothiazol-2-yl-2-chloroacetamide (3028-02-2)

Guidance literature:

With sodium carbonate; In 1,4-dioxane; at 20 ℃; for 1h;

Reference yield: 87.4%

2-amino-benzthiazole (136-95-8,102337-98-4,84293-42-5) + chloroacetic acid (79-11-8) → N-benzothiazol-2-yl-2-chloroacetamide (3028-02-2)

Guidance literature:

With acetic acid; at 120 ℃; for 0.666667h;

Reference yield:

aniline (62-53-3) → N-benzothiazol-2-yl-2-chloroacetamide (3028-02-2)

Guidance literature:

Multi-step reaction with 2 steps

1: bromine; acetic acid / 13.75 h / 0 - 20 °C

2: potassium carbonate / acetonitrile / 18 h / Reflux

With bromine; potassium carbonate; acetic acid; In acetonitrile;

upstream raw materials:

2-amino-benzthiazole

chloroacetyl chloride

monophenylthiourea

aniline

Downstream raw materials:

N-Benzothiazol-2-yl-2-[5-(4-chloro-phenyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-acetamide

2-(1H-Benzoimidazol-2-ylsulfanyl)-N-benzothiazol-2-yl-acetamide

N-(benzothiazol-2-yl)-2-{5-[(4-chlorobenzylidene)-amino]-4-phenyl-4H-1,2,4-triazole-3-ylsulfanyl}-acetamide

N-(2-chloroethyl)-1,3-benzothiazol-2-amine

Refernces

• 1、 Saprykina,Vinogradova,Ambartsumova,Ibragimov,Shakhidoyatov. "Thiazole and benzothiazole derivatives of cytisine". . p. 470 - 472. Retrieved 2006.
• 2、 Mokhtari, Bahram,Pourabdollah, Kobra. "Biological evaluation of some antimicrobial nano-materials". . p. 663 - 670. Retrieved 2013.
• 3、 Rawat, Srishti,Rawat, Diwan S.,Negi, Beena. "Synthesis, in silico pharmacokinetic analysis and anticancer activity evaluation of benzothiazole-triazole hybrids". . p. 409 - 417. Retrieved 2021/09/28.
• 4、 Kumar, Sumit,Kumar, Arvind,Verma, Amit,Mishra, Arun Kumar. "Synthesis and docking study of some bioactive n-(Benzo[d]thiazol-2-yl)-2-(4-((substituted)phenoxy)acetamide on cyclo-oxygenase-2 enzyme and in vivo analgesic activity evaluation". . p. 396 - 405. Retrieved 2021/06/17.