D-Homocysteine thiolactone hydrochloride

Base Information

• Chemical Name: D-Homocysteine thiolactone hydrochloride
• CAS No.: 1120-77-0
• Molecular Formula: C4H8ClNOS
• Molecular Weight: 153.633
• Hs Code.: 2934999090
• UNII: Y9171N54U6
• Wikidata: Q27294396
• Mol file: 1120-77-0.mol

Synonyms:D-Homocysteine thiolactone hydrochloride;1120-77-0;Homocysteine thiolactone hydrochloride, D-;UNII-Y9171N54U6;Y9171N54U6;Homocysteine D-form thiolactone hydrochloride [MI];(3R)-3-aminothiolan-2-one;hydrochloride;2(3H)-Thiophenone, 3-aminodihydro-, hydrochloride (1:1), (3R)-;(R)-3-Aminodihydrothiophen-2(3H)-one hydrochloride;D-Homocysteine thiolactone HCl;SCHEMBL4699765;ZSEGSUBKDDEALH-AENDTGMFSA-N;CS-0375845;Q27294396;Z5069355115

Chemical Property of D-Homocysteine thiolactone hydrochloride

Chemical Property:

• Melting Point: 185-187 °C
• PSA: 68.39000
• LogP: 1.47950
• Storage Temp.: 2-8°C
• Solubility.: DMSO (Slightly), Water (Slightly)
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 153.0015127
• Heavy Atom Count: 8
• Complexity: 93.7

Purity/Quality:

98%,99%, ^*data from raw suppliers

D-HomocysteineThiolactoneHydrochloride ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CSC(=O)C1N.Cl
• Isomeric SMILES: C1CSC(=O)[C@@H]1N.Cl
• Uses: D-Homocysteine Thiolactone Hydrochloride is a moderate mGlu receptor agonist and thus suggests that moderate hyperhomocysteinemia may be associated with several diseases including coronoary artery, Alzheimer’s disease and schizophrenia.

Technology Process of D-Homocysteine thiolactone hydrochloride

There total 2 articles about D-Homocysteine thiolactone 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:

3-aminodihydrothiophen-2(3H)-one hydrochloride (6038-19-3) → D-homocysteine thiolactone hydrochloride (1120-77-0) + L-homocysteine thiolactone hydrochloride (31828-68-9)

Guidance literature:

With chiral stationary phase including isopropyl-functionalized CF₆; In ethanol; n-heptane; trifluoroacetic acid; at 20 ℃; Purification / work up; Resolution of racemate;

Reference yield:

C4H7NOS*C8H8O3 + S-HCT madelate (1051970-96-7) → D-homocysteine thiolactone hydrochloride (1120-77-0) + L-homocysteine thiolactone hydrochloride (31828-68-9)

Guidance literature:

With hydrogenchloride; In water; acetone; pH=1; Product distribution / selectivity;

Reference yield:

D-homocysteine thiolactone hydrochloride (1120-77-0) + L-homocysteine thiolactone hydrochloride (31828-68-9) → 3-aminodihydrothiophen-2(3H)-one hydrochloride (6038-19-3)

Guidance literature:

With salicylaldehyde; In acetic acid; at 5 - 50 ℃; for 7h; Product distribution / selectivity;

upstream raw materials:

S-HCT madelate

3-aminodihydrothiophen-2(3H)-one hydrochloride

Downstream raw materials:

(R)-cis-3,6-bis-(2-mercapto-ethyl)-piperazine-2,5-dione

D-[S-methyl-11C]methionine

3-aminodihydrothiophen-2(3H)-one hydrochloride