Methyl thiazolidine-4-carboxylate hydrochloride

Base Information

• Chemical Name: Methyl thiazolidine-4-carboxylate hydrochloride
• CAS No.: 50703-06-5
• Molecular Formula: C5H10ClNO2S
• Molecular Weight: 183.659
• Hs Code.: 2934999090
• European Community (EC) Number: 256-726-5
• NSC Number: 108733
• Mol file: 50703-06-5.mol

Synonyms:Methyl thiazolidine-4-carboxylate hydrochloride;methyl 1,3-thiazolidine-4-carboxylate hydrochloride;SCHEMBL201248;NSC108733;AKOS008053189;NSC 108733;NSC-108733;CS-0079604;D74074;EN300-193418;F1962-0024

Chemical Property of Methyl thiazolidine-4-carboxylate hydrochloride

Chemical Property:

• Vapor Pressure: 0.0413mmHg at 25°C
• Melting Point: 159-163 °C (dec.)(lit.)
• Boiling Point: 238.9 °C at 760 mmHg
• Flash Point: 98.3 °C
• PSA: 63.63000
• LogP: 0.95270
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 183.0120774
• Heavy Atom Count: 10
• Complexity: 118

Purity/Quality:

99% ^*data from raw suppliers

Methyl thiazolidine-2-carboxylate hydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R36/37/38:Irritating to eyes, respiratory system and skin.
• Hazard Codes: R36/37/38:Irritating to eyes, respiratory system and skin.
• Statements: R36/37/38:Irritating to eyes, respiratory system and skin.
• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1CSCN1.Cl

Technology Process of Methyl thiazolidine-4-carboxylate hydrochloride

There total 3 articles about Methyl thiazolidine-4-carboxylate hydrochloride 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: 99.3%

methanol (67-56-1) + L-thioproline (34592-47-7,2756-91-4,6070-92-4,60731-25-1) → methyl 1,3-thiazolidine-4-carboxylate hydrochloride (50703-06-5)

Guidance literature:

With thionyl chloride; at 5 ℃; for 0.166667h; Inert atmosphere;

DOI:10.1016/j.bmc.2013.10.008

Reference yield:

(RS)-4-thiazolidinecarboxylic acid (444-27-9,19291-02-2,34592-47-7,45521-09-3,2756-91-4,6070-92-4,60731-25-1) → methyl 1,3-thiazolidine-4-carboxylate hydrochloride (50703-06-5)

Guidance literature:

In methanol;

Reference yield:

methanol (67-56-1) + (RS)-4-thiazolidinecarboxylic acid (444-27-9,19291-02-2,34592-47-7,45521-09-3,2756-91-4,6070-92-4,60731-25-1) → methyl 1,3-thiazolidine-4-carboxylate hydrochloride (50703-06-5)

Guidance literature:

With thionyl chloride;

DOI:10.1016/j.bmc.2015.09.008

upstream raw materials:

(RS)-4-thiazolidinecarboxylic acid

methanol

L-thioproline

Downstream raw materials:

N-methyl-1,3-thiazolidine-4-carboxamide

N,N-dimethyl-1,3-thiazolidine-4-carboxamide

Refernces

• 1、 Inami, Keiko,Ono, Yuta,Kondo, Sonoe,Nakanishi, Ikuo,Ohkubo, Kei,Fukuzumi, Shunichi,Mochizuki, Masataka. "Effect of alkyl group on transnitrosation of N-nitrosothiazolidine thiocarboxamides". . p. 6733 - 6739. Retrieved 2015/10/19.