Methyl 5-thioxo-L-prolinate

Base Information

Chemical Name:Methyl 5-thioxo-L-prolinate
CAS No.:85178-37-6
Molecular Formula:C6H9 N O2 S
Molecular Weight:159.209
Hs Code.:
European Community (EC) Number:285-985-7
DSSTox Substance ID:DTXSID80234346
Nikkaji Number:J309.896F
Wikidata:Q83116098
Mol file:85178-37-6.mol

Synonyms:85178-37-6;Methyl 5-thioxo-L-prolinate;(S)-methyl 5-thioxopyrrolidine-2-carboxylate;methyl (2S)-5-sulfanylidenepyrrolidine-2-carboxylate;EINECS 285-985-7;DTXSID80234346;BDNFWMHPTDPFIT-BYPYZUCNSA-N;MFCD27999902;AKOS027417554;AS-59188;(S)-methyl5-thioxopyrrolidine-2-carboxylate;CS-0036085;NS00038835;W12371

Suppliers and Price of Methyl 5-thioxo-L-prolinate

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

Crysdot
(S)-Methyl5-thioxopyrrolidine-2-carboxylate 97%
5g
$ 446.00

AK Scientific
methyl(2S)-5-sulfanylidenepyrrolidine-2-carboxylate
5g
$ 507.20

AK Scientific
methyl(2S)-5-sulfanylidenepyrrolidine-2-carboxylate
1g
$ 202.40

AK Scientific
methyl(2S)-5-sulfanylidenepyrrolidine-2-carboxylate
250mg
$ 131.60

Total 6 raw suppliers

Chemical Property of Methyl 5-thioxo-L-prolinate

Chemical Property:

Vapor Pressure:0.0901mmHg at 25°C
Boiling Point:224.7°C at 760 mmHg
Flash Point:89.7°C
PSA：77.46000
Density:1.25g/cm³
LogP:0.08570
XLogP3:0.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:159.03539970
Heavy Atom Count:10
Complexity:169

Purity/Quality:

99% ^*data from raw suppliers

(S)-Methyl5-thioxopyrrolidine-2-carboxylate 97% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC(=O)C1CCC(=S)N1
Isomeric SMILES:COC(=O)[C@@H]1CCC(=S)N1

Technology Process of Methyl 5-thioxo-L-prolinate

There total 5 articles about Methyl 5-thioxo-L-prolinate 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: 94.0%

: 4931-66-2
methyl (S)-pyroglutamate

: 85178-37-6
(S)-methyl 5-thioxopyrrolidine-2-carboxylate

Guidance literature:: With Lawessons reagent; In 1,2-dimethoxyethane; for 2.25h; Ambient temperature;

Reference yield: 69.0%

: 67-56-1
methanol

: 76783-40-9
(S)-5-thioxoproline

: 85178-37-6
(S)-methyl 5-thioxopyrrolidine-2-carboxylate

Guidance literature:: With hydrogenchloride; for 2.5h; Ambient temperature;

Reference yield:

: 56-86-0,21675-62-7,23009-64-5,25104-13-6,84960-48-5,25513-46-6
L-glutamic acid

: 85178-37-6
(S)-methyl 5-thioxopyrrolidine-2-carboxylate

Guidance literature:: Multi-step reaction with 3 steps

1: 95 percent / H₂O / 16 h / Heating

2: 91 percent / SOCl₂, DMF / 24 h / Ambient temperature

3: 94 percent / Lawesson's reagent / toluene / 2.5 h / 80 °C

With Lawessons reagent; thionyl chloride; N,N-dimethyl-formamide; In water; toluene;