(3R)-5-oxothiomorpholine-3-carboxylic acid

Base Information

Chemical Name:(3R)-5-oxothiomorpholine-3-carboxylic acid
CAS No.:62305-89-9
Molecular Formula:C5H7NO3S
Molecular Weight:161.17900
Hs Code.:
European Community (EC) Number:641-944-9
DSSTox Substance ID:DTXSID40354453
Wikidata:Q82132608
Mol file:62305-89-9.mol

Synonyms:62305-89-9;(3R)-5-oxothiomorpholine-3-carboxylic acid;Carbocisteine Lactam;(R)-5-Oxothiomorpholine-3-carboxylic acid;Lactam of (S)-Carboxymethyl-L-cysteine;AC1LGMMN;3-Thiomorpholinecarboxylic acid, 5-oxo-, (3R)-;3-Thiomorpholinecarboxylic acid, 5-oxo-, (R)-;(3R)-3-Carboxy-5-oxothiomorpholine;SCHEMBL9201482;DTXSID40354453;AT25443;(R)-5-Oxothiomorpholine-3-carboxylicacid;EN300-657320;(r)-5-oxoperhydro-1,4-thiazine-3-carboxylic acid

Suppliers and Price of (3R)-5-oxothiomorpholine-3-carboxylic acid

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

AK Scientific
(3R)-5-Oxothiomorpholine-3-carboxylicacid
1g
$ 387.00

AK Scientific
(3R)-5-Oxothiomorpholine-3-carboxylicacid
250mg
$ 203.00

Total 12 raw suppliers

Chemical Property of (3R)-5-oxothiomorpholine-3-carboxylic acid

Chemical Property:

Boiling Point:530.3±50.0 °C(Predicted)
PKA:3.26±0.20(Predicted)
PSA：95.19000
Density:1.455±0.06 g/cm3(Predicted)
LogP:-0.42150
XLogP3:-0.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:161.01466426
Heavy Atom Count:10
Complexity:170

Purity/Quality:

99% ^*data from raw suppliers

(3R)-5-Oxothiomorpholine-3-carboxylicacid ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1C(NC(=O)CS1)C(=O)O
Isomeric SMILES:C1[C@H](NC(=O)CS1)C(=O)O
Uses Carbocisteine Lactam is an impurity of the mucolytic agent Carbocisteine (C178760). (3R)-5-Oxothiomorpholine-3-carboxylic Acid is used in the synthesis of Mercaptan and dicarboxylate inhibitors of hamster dihydroorotase

Technology Process of (3R)-5-oxothiomorpholine-3-carboxylic acid

There total 2 articles about (3R)-5-oxothiomorpholine-3-carboxylic acid 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: 68.0%

: 96-32-2
bromoacetic acid methyl ester

: L-cysteine

: 62305-89-9
(R)-5-oxothiomorpholine-3-carboxylic acid

Guidance literature:: With ethanol; sodium;
DOI:10.1016/S0040-4020(99)00528-1

Reference yield: 15.0%

: 7048-04-6,116797-51-4
L-cysteine hydrochloride monohydrate

: 598-21-0
2-Bromoacetyl bromide

: 62305-89-9
(R)-5-oxothiomorpholine-3-carboxylic acid

Guidance literature:: With sodium carbonate; In water; for 12h; Ambient temperature;
DOI:10.1039/P19880002647

Reference yield:

: 62305-89-9
(R)-5-oxothiomorpholine-3-carboxylic acid

: (R)-5-oxothiomorpholin-3-ylcarbonyl-L-phenylalanyl-L-proline p-nitrophenyl ester

Guidance literature:: Multi-step reaction with 3 steps

1: 1.) 1-hydroxybenzotriazole, DCC, 2.) N-methyl morpholine / 1.) DMF, CH₂Cl₂, 0 deg C, 2.) CH₂Cl₂, 18 h, RT

2: 92 percent / trifluoroacetic acid / 1 h / Ambient temperature

3: 60 percent / dicyclohexylcarbodi-imide / tetrahydrofuran

With 4-methyl-morpholine; benzotriazol-1-ol; dicyclohexyl-carbodiimide; trifluoroacetic acid; In tetrahydrofuran;
DOI:10.1039/P19880002647