2-chloro-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide

Base Information

• Chemical Name: 2-chloro-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
• CAS No.: 3427-30-3
• Molecular Formula: C10H9 Cl N2 O2 S
• Molecular Weight: 256.713
• Hs Code.: 2934200090
• European Community (EC) Number: 839-775-2
• DSSTox Substance ID: DTXSID60358837
• Wikidata: Q82139711
• Mol file: 3427-30-3.mol

Synonyms:3427-30-3;2-chloro-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide;2-Chloro-N-(6-methoxy-benzothiazol-2-yl)-acetamide;2-Chloro-N-(6-methoxybenzo[d]thiazol-2-yl)acetamide;MFCD00452840;2-Chloro-N-(6-methoxy-2-benzothiazolyl)-acetamide;SCHEMBL20543332;DTXSID60358837;STK033300;AKOS000103935;BB 0217412;FT-0677789;EN300-01812;A875039;Z203045206

Chemical Property of 2-chloro-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide

Chemical Property:

• Refractive Index: 1.684
• PSA: 79.46000
• Density: 1.469g/cm³
• LogP: 2.55520
• Storage Temp.: 2-8°C
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 256.0073264
• Heavy Atom Count: 16
• Complexity: 267

Purity/Quality:

97% ^*data from raw suppliers

2-Chloro-N-(6-methoxy-benzothiazol-2-yl)-acetamide ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC2=C(C=C1)N=C(S2)NC(=O)CCl

Technology Process of 2-chloro-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide

There total 5 articles about 2-chloro-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide 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: 90.0%

6-methoxybenzothiazol-2-ylamine (1747-60-0) + chloroacetyl chloride (79-04-9) → 2-chloro-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide (3427-30-3)

Guidance literature:

6-methoxybenzothiazol-2-ylamine; With pyridine; In benzene; at 0 - 5 ℃; for 0.5h;

chloroacetyl chloride; In benzene; for 2h;

Reference yield:

4-methoxy-aniline (104-94-9) → 2-chloro-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide (3427-30-3)

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;

Reference yield:

2-amino-6-hydroxybenzothiazole (26278-79-5) → 2-chloro-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide (3427-30-3)

Guidance literature:

Multi-step reaction with 2 steps

1: potassium carbonate; N-benzyl-N,N,N-triethylammonium chloride / acetone / Reflux

2: acetone / 20 °C / Cooling

With N-benzyl-N,N,N-triethylammonium chloride; potassium carbonate; In acetone;

DOI:10.3390/molecules21030164 DOI:10.3390/molecules21030164

upstream raw materials:

6-methoxybenzothiazol-2-ylamine

chloroacetyl chloride

1-(4-methoxyphenyl)thiourea

4-methoxy-aniline

Downstream raw materials:

C₁₇H₁₄N₆O₂S₂

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