N-(4-Chloro-2-methylphenyl)-4,5-dihydro-2-thiazolamine

Base Information

• Chemical Name: N-(4-Chloro-2-methylphenyl)-4,5-dihydro-2-thiazolamine
• CAS No.: 110470-64-9
• Molecular Formula: C10H11 Cl N2 S
• Molecular Weight: 226.73
• DSSTox Substance ID: DTXSID101033869
• Nikkaji Number: J423.386G

Synonyms:110470-64-9;SCHEMBL10602326;DTXSID101033869;N-(4-Chloro-2-methylphenyl)-4,5-dihydro-2-thiazolamine;2-Thiazolamine, N-(4-chloro-2-methylphenyl)-4,5-dihydro-

Chemical Property of N-(4-Chloro-2-methylphenyl)-4,5-dihydro-2-thiazolamine

Chemical Property:

• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 226.0331472
• Heavy Atom Count: 14
• Complexity: 232

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=CC(=C1)Cl)NC2=NCCS2

Technology Process of N-(4-Chloro-2-methylphenyl)-4,5-dihydro-2-thiazolamine

There total 2 articles about N-(4-Chloro-2-methylphenyl)-4,5-dihydro-2-thiazolamine 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: 40.0%

1-(2-methyl-4-chlorophenyl)-3-(2-hydroxyethyl)thiourea (52266-61-2) → 2-(4-chloro-o-toluidino)-2-thiazoline (110470-64-9)

Guidance literature:

With hydrogenchloride; In water; at 2 ℃; Reflux;

DOI:10.1021/jf4012467

Reference yield:

4-chloro-2-methylphenyl isothiocyanate (23165-53-9) → 2-(4-chloro-o-toluidino)-2-thiazoline (110470-64-9)

Guidance literature:

Multi-step reaction with 2 steps

1: diethyl ether / Reflux

2: hydrogenchloride / water / 2 °C / Reflux

With hydrogenchloride; In diethyl ether; water;

DOI:10.1021/jf4012467

Reference yield:

3-bromo-1-(3-chloropyridin-2-yl)-1H-pyrazole-5-carbonyl chloride (943982-60-3) + 2-(4-chloro-o-toluidino)-2-thiazoline (110470-64-9) → C19H14BrCl2N5OS (1438853-70-3)

Guidance literature:

With triethylamine; In tetrahydrofuran; at 0 - 20 ℃;

DOI:10.1021/jf4012467

upstream raw materials:

4-chloro-2-methylphenyl isothiocyanate

1-(2-methyl-4-chlorophenyl)-3-(2-hydroxyethyl)thiourea

Downstream raw materials:

C₁₉H₁₄BrCl₂N₅OS

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