Methyl 2-(4-chlorophenyl)-1,3-thiazolane-4-carboxylate

Base Information

• Chemical Name: Methyl 2-(4-chlorophenyl)-1,3-thiazolane-4-carboxylate
• CAS No.: 86264-82-6
• Molecular Formula: C₁₁H₁₂ClNO₂S
• Molecular Weight: 257.741
• DSSTox Substance ID: DTXSID401224182
• Mol file: 86264-82-6.mol

Synonyms:86264-82-6;methyl 2-(4-chlorophenyl)-1,3-thiazolane-4-carboxylate;Methyl 2-(4-chlorophenyl)-1,3-thiazolidine-4-carboxylate;DTXSID401224182;MFCD02571121;AKOS015992832;4R-1301;Methyl 2-(4-chlorophenyl)-4-thiazolidinecarboxylate;Methyl2-(4-chlorophenyl)-1,3-thiazolidine-4-carboxylate

Chemical Property of Methyl 2-(4-chlorophenyl)-1,3-thiazolane-4-carboxylate

Chemical Property:

• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 257.0277275
• Heavy Atom Count: 16
• Complexity: 256

Purity/Quality:

Methyl 2-(4-chlorophenyl)-1,3-thiazolane-4-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC(=O)C1CSC(N1)C2=CC=C(C=C2)Cl

Technology Process of Methyl 2-(4-chlorophenyl)-1,3-thiazolane-4-carboxylate

There total 3 articles about Methyl 2-(4-chlorophenyl)-1,3-thiazolane-4-carboxylate 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: 78.0%

L-cysteine methyl ester hydrochloride (18598-63-5) + 4-chlorobenzaldehyde (104-88-1) → (4R)-methyl 2-(4-chlorophenyl)-1,3-thiazolidine-4-carboxylate (86264-82-6)

Guidance literature:

With triethylamine; In water; at 100 ℃; for 0.25h; Microwave irradiation; Green chemistry;

DOI:10.1016/j.jorganchem.2018.09.027

Reference yield:

L-cysteine methyl ester hydrochloride (18598-63-5) + 4-chlorobenzaldehyde (104-88-1) → methyl 2-(4-chlorophenyl)thiazolidine-4-carboxylate (86264-82-6) + methyl 2-(4-chlorophenyl)thiazolidine-4-carboxylate (86264-82-6)

Guidance literature:

L-cysteine methyl ester hydrochloride; With sodium hydrogencarbonate; In ethanol; water; at 20 ℃; for 0.166667h;

4-chlorobenzaldehyde; In ethanol; water; for 14h; Overall yield = 57 %; Overall yield = 1.8 g;

DOI:10.1016/j.ejmech.2018.08.004

Reference yield:

L-cysteine methyl ester hydrochloride (18598-63-5) + 4-chlorobenzaldehyde (104-88-1) → methyl 2-(4-chlorophenyl)thiazolidine-4-carboxylate (86264-82-6) + methyl 2-(4-chlorophenyl)thiazolidine-4-carboxylate (86264-82-6)

Guidance literature:

L-cysteine methyl ester hydrochloride; With sodium hydrogencarbonate; In ethanol; water; at 20 ℃; for 0.166667h;

4-chlorobenzaldehyde; In ethanol; water; for 14h; Overall yield = 57 %; Overall yield = 1.8 g;

DOI:10.1016/j.ejmech.2018.08.004

upstream raw materials:

L-cysteine methyl ester hydrochloride

4-chlorobenzaldehyde

Downstream raw materials:

2-(4-chlorophenyl)thiazole-4-carboxylic acid

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