(2S,4S)-Allyl 4-(benzoylthio)-2-(dimethylcarbamoyl)pyrrolidine-1-carboxylate

Base Information

Chemical Name:(2S,4S)-Allyl 4-(benzoylthio)-2-(dimethylcarbamoyl)pyrrolidine-1-carboxylate
CAS No.:141818-73-7
Molecular Formula:C18H22N2O4S
Molecular Weight:362.44328
Hs Code.:
DSSTox Substance ID:DTXSID901122125
Nikkaji Number:J1.627.103I
Mol file:141818-73-7.mol

Synonyms:141818-73-7;(2S,4S)-Allyl 4-(benzoylthio)-2-(dimethylcarbamoyl)pyrrolidine-1-carboxylate;EC 604-254-9;allyl (2S,4S)-4-benzoylsulfanyl-2-(dimethylcarbamoyl)pyrrolidine-1-carboxylate;SCHEMBL9687167;HOCDRPVUJNMBCM-GJZGRUSLSA-N;DTXSID901122125;(2S,4s)-1-(allyloxycarbonyl)-4-benzoylsulfanyl-2-(n,n-dimethylcarbamoyl)pyrrolidine;(2S,4S)-4-(Benzoylthio)-2-(dimethylcarbamoyl)-1-pyrrolidinecarboxylic acid allyl ester;(2S,4S)-Allyl4-(benzoylthio)-2-(dimethylcarbamoyl)pyrrolidine-1-carboxylate;2-Propen-1-yl (2S,4S)-4-(benzoylthio)-2-[(dimethylamino)carbonyl]-1-pyrrolidinecarboxylate

Suppliers and Price of (2S,4S)-Allyl 4-(benzoylthio)-2-(dimethylcarbamoyl)pyrrolidine-1-carboxylate

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
(2S,4S)-Allyl4-(benzoylthio)-2-(dimethylcarbamoyl)pyrrolidine-1-carboxylate 95+%
1g
$ 733.00

Chemenu
allyl(2S,4S)-4-(benzoylthio)-2-(dimethylcarbamoyl)pyrrolidine-1-carboxylate 95%
1g
$ 692.00

Alichem
(2S,4s)-1-(allyloxycarbonyl)-4-benzoylsulfanyl-2-(n,n-dimethylcarbamoyl)pyrrolidine
1g
$ 802.37

Total 23 raw suppliers

Chemical Property of (2S,4S)-Allyl 4-(benzoylthio)-2-(dimethylcarbamoyl)pyrrolidine-1-carboxylate

Chemical Property:

Vapor Pressure:0mmHg at 25°C
Boiling Point:508.149°C at 760 mmHg
Flash Point:261.119°C
PSA：92.22000
Density:1.258g/cm³
LogP:2.35160
XLogP3:2.6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:7
Exact Mass:362.13002836
Heavy Atom Count:25
Complexity:517

Purity/Quality:

99.9% ^*data from raw suppliers

(2S,4S)-Allyl4-(benzoylthio)-2-(dimethylcarbamoyl)pyrrolidine-1-carboxylate 95+% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CN(C)C(=O)C1CC(CN1C(=O)OCC=C)SC(=O)C2=CC=CC=C2
Isomeric SMILES:CN(C)C(=O)[C@@H]1C[C@@H](CN1C(=O)OCC=C)SC(=O)C2=CC=CC=C2

Technology Process of (2S,4S)-Allyl 4-(benzoylthio)-2-(dimethylcarbamoyl)pyrrolidine-1-carboxylate

There total 5 articles about (2S,4S)-Allyl 4-(benzoylthio)-2-(dimethylcarbamoyl)pyrrolidine-1-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: 91.0%

: 28170-13-0
thiobenzoic acid potassium salt

: C₁₂H₂₀N₂O₆S

: 141818-73-7
C₁₈H₂₂N₂O₄S

Guidance literature:: In dimethyl sulfoxide; at 110 ℃; for 6h; Temperature; Inert atmosphere;

Reference yield: 78.4%

: 28170-13-0
thiobenzoic acid potassium salt

: 871589-37-6
(2S,4R)-1-allyloxycarbonyl-4-benzenesulfonyloxy-2-dimethylaminocarbonylpyrrolidine

: 141818-73-7
(3S,5S)-1-allyloxycarbonyl-3-benzoylthio-5-dimethylaminocarbonylpyrrolidine

Guidance literature:: In DMF (N,N-dimethyl-formamide); toluene; at 66 - 70 ℃; for 13h;

Reference yield:

: 126407-76-9
(2S,4R)-N-(allyloxycarbonyl)-4-hydroxypyrrolidine-2-carboxylic acid

: 141818-73-7
C₁₈H₂₂N₂O₄S

Guidance literature:: Multi-step reaction with 3 steps

1: pyridine / dichloromethane / 3 h / 0 - 15 °C

2: pyridine / 3 h / 0 - 15 °C

3: dimethyl sulfoxide / 6 h / 110 °C / Inert atmosphere

With pyridine; In dichloromethane; dimethyl sulfoxide;