ChemicalBook--->CAS DataBase List--->36983-12-7

36983-12-7

36983-12-7 Structure

36983-12-7 Structure
IdentificationBack Directory
[Name]

D-P-METHYL SULFONE PHENYL ETHYL SERINATE
[CAS]

36983-12-7
[Synonyms]

D-p-Methyl
D-P-METHYL SULFONE PHENYL ETHYL SERITE
Ethyl D-4-(methylsulfinophenyl)serinate
D-P-METHYL SULFONE PHENYL ETHYL SERINATE
Cuprum D-4-Methylsulfinophenylethylserinate
D-threo--Methylsulfonylphenylserine Ethyl Ester
D-threo-beta-Methylsulfonylphenylserine ethyl ester
REF DUPL: D-4-Methylsulfonylphenyl serine ethyl ester
(S)--Hydroxy-4-(methylsulfonyl)-D-phenylalanine Ethyl Ester
(S)-ethyl 3-hydroxy-2-(4-(methylsulfonyl)phenylamino)propanoate
(S)-beta-Hydroxy-4-(methylsulfonyl)-D-Phenylalanine ethyl ester
D-Phenylalanine, b-hydroxy-4-(Methylsulfonyl)-,ethyl ester, (bS)-
(2R,3S)-Ethyl 2-amino-3-hydroxy-3-(4-(methylsulfonyl)phenyl)propanoate
[EINECS(EC#)]

1308068-626-2
[Molecular Formula]

C12H17NO5S
[MDL Number]

MFCD08274466
[MOL File]

36983-12-7.mol
[Molecular Weight]

287.33
Chemical PropertiesBack Directory
[Appearance]

White Solid
[Melting point ]

135-137°C
[Boiling point ]

515.0±50.0 °C(Predicted)
[density ]

1.309
[storage temp. ]

Refrigerator
[solubility ]

Chloroform
[form ]

Solid
[pka]

10.57±0.45(Predicted)
[color ]

White
[Optical Rotation]

1.00°(C=0.01g/mL, MEOH, 589nm)
[InChI]

InChI=1/C12H17NO5S/c1-3-18-12(15)10(13)11(14)8-4-6-9(7-5-8)19(2,16)17/h4-7,10-11,14H,3,13H2,1-2H3/t10-,11+/s3
[InChIKey]

CEEHCOWSYFANRT-WQVXQJEGNA-N
[SMILES]

[C@@H](C1C=CC(S(=O)(=O)C)=CC=1)(O)[C@@H](N)C(=O)OCC |&1:0,12,r|
[CAS DataBase Reference]

36983-12-7
Hazard InformationBack Directory
[Chemical Properties]

White Solid
[Uses]

Florfenicol intermediate
[Synthesis]

4-Methylsulphonyl benzaldehyde

5398-77-6

Glycine ethyl ester hydrochloride

623-33-6

3-(4-(METHYLSULFONYL)PHENYL)SERINE ETHYL ESTER

31925-27-6

GENERAL STEPS: 500 g (15.6 mol) of methanol was added to a 1000 ml three-necked flask. Under stirring conditions, 73.9 g (0.53 mol) of ethyl glycinate hydrochloride was added and the temperature was slowly raised to 50-55°C until the ethyl glycinate hydrochloride was completely dissolved. Subsequently, 67.5 g (0.27 mol) of copper sulfate pentahydrate was added to this solution and stirring was continued until complete dissolution and stirring was maintained at 50-55°C for 0.5 hr. Next, triethylamine was added dropwise to the reaction system and the pH was adjusted to 8.5-9.0. Then, 92 g (0.5 mol) of p-methylsulfonylbenzaldehyde was added, and the reaction temperature was maintained at 50-55 °C and the pH was maintained between 8.5-9.0 by adding triethylamine. During the reaction, the progress of the reaction was monitored by HPLC, and the reaction was judged to be complete when the percentage of peak area of p-methylsulfonylbenzaldehyde was less than 2%. At the end of the reaction, methanol was recovered by decompression distillation, and the temperature inside the reaction flask was controlled to be no more than 50 °C during the distillation process. After the recovery of methanol, 600 g of water was added to the reaction flask, and after sufficient stirring, 146.7 g of ethyl 3-(p-toluenesulfonylphenyl)serinate was obtained by centrifugation, with a moisture content of 10.0%, a purity of 97.2% and a yield of 92%.

[References]

[1] Patent: CN108373430, 2018, A. Location in patent: Paragraph 0017; 0040; 0045-0059
Safety DataBack Directory
[Symbol(GHS) ]


GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Spectrum DetailBack Directory
[Spectrum Detail]

D-P-METHYL SULFONE PHENYL ETHYL SERINATE(36983-12-7)1HNMR
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