[ CAS No. 583-47-1 ] {[proInfo.proName]}

Name: 583-47-1|4-Benzyloxazolidine-2,5-dione|95%
Brand: Ambeed
SKU: A541741
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Quality Control of [ 583-47-1 ]

COA NMR CNMR HPLC LC-MS

Related Doc. of [ 583-47-1 ]

SDS Specification

Alternatived Products of [ 583-47-1 ]

Product Details of [ 583-47-1 ]

CAS No. :	583-47-1	MDL No. :	MFCD18375238
Formula :	C₁₀H₉NO₃	Boiling Point :	-
Linear Structure Formula :	C₄H₄(C₆H₅)NO₃	InChI Key :	GQBIVYSGPXCELZ-UHFFFAOYSA-N
M.W :	191.18	Pubchem ID :	68501
Synonyms :

Calculated chemistry of [ 583-47-1 ] Expand+

Physicochemical Properties

Num. heavy atoms :	14
Num. arom. heavy atoms :	6
Fraction Csp3 :	0.2
Num. rotatable bonds :	2
Num. H-bond acceptors :	3.0
Num. H-bond donors :	1.0
Molar Refractivity :	52.31
TPSA :	55.4 Å²

Pharmacokinetics

GI absorption :	High
BBB permeant :	No
P-gp substrate :	No
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-6.39 cm/s

Lipophilicity

Log Po/w (iLOGP) :	1.42
Log Po/w (XLOGP3) :	1.52
Log Po/w (WLOGP) :	0.48
Log Po/w (MLOGP) :	1.29
Log Po/w (SILICOS-IT) :	1.56
Consensus Log Po/w :	1.26

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	1.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	-2.17
Solubility :	1.3 mg/ml ; 0.00679 mol/l
Class :	Soluble
Log S (Ali) :	-2.29
Solubility :	0.976 mg/ml ; 0.00511 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-2.97
Solubility :	0.203 mg/ml ; 0.00106 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	2.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	2.24

Safety of [ 583-47-1 ]

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P264-P270-P301+P312-P330	UN#:	N/A
Hazard Statements:	H302	Packing Group:	N/A
GHS Pictogram:

Application In Synthesis of [ 583-47-1 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

Downstream synthetic route of [ 583-47-1 ]

[ 583-47-1 ] Synthesis Path-Downstream 1~109

1
[ 75-44-5 ]
[ 150-30-1 ]
[ 583-47-1 ]

Reference： [1]Recueil des Travaux Chimiques des Pays-Bas,1952,vol. 71,p. 385,393
[2]Patent: DE824635,1949,
DRP/DRBP Org.Chem.,

2
[ 67-56-1 ]
[ 583-47-1 ]
[ 15028-44-1 ]

Reference： [1]Chemische Berichte,1922,vol. 55,p. 1550

3
[ 556-50-3 ]
[ 583-47-1 ]
[ 51163-51-0 ]

Reference： [1]Hoppe-Seyler's Zeitschrift fur Physiologische Chemie,1926,vol. 157,p. 100

4
[ 949-67-7 ]
[ 583-47-1 ]
[ 5147-17-1 ]

Reference： [1]Hoppe-Seyler's Zeitschrift fur Physiologische Chemie,1926,vol. 157,p. 100

5
[ 7262-20-6 ]
[ 583-47-1 ]
DL-phenylalanine anilide; picrate [ No CAS ]

Reference： [1]Monatshefte fur Chemie,1927,vol. 48,p. 6

6
[ 88-89-1 ]
[ 100-61-8 ]
[ 583-47-1 ]
phenylalanine-(<i>N</i>-methyl-anilide); picrate [ No CAS ]

Reference： [1]Monatshefte fur Chemie,1927,vol. 48,p. 6

8
[ 75-04-7 ]
[ 583-47-1 ]
[ 131100-60-2 ]

Reference： [1]Hoppe-Seyler's Zeitschrift fur Physiologische Chemie,1926,vol. 157,p. 100
[2]Hoppe-Seyler's Zeitschrift fur Physiologische Chemie,1926,vol. 157,p. 100

9
[ 645-36-3 ]
[ 583-47-1 ]
phenylalanine-(2,2-diethoxy-ethylamide) [ No CAS ]

Reference： [1]Hoppe-Seyler's Zeitschrift fur Physiologische Chemie,1926,vol. 157,p. 100

10
[ 62-53-3 ]
[ 583-47-1 ]
<i>N</i>-phenylalanyl-phenylalanine anilide [ No CAS ]

Reference： [1]Hoppe-Seyler's Zeitschrift fur Physiologische Chemie,1926,vol. 157,p. 100

11
[ 56-40-6 ]
[ 583-47-1 ]
[ 4294-26-2 ]

Reference： [1]Hoppe-Seyler's Zeitschrift fur Physiologische Chemie,1926,vol. 157,p. 100

12
[ 583-47-1 ]
[ 150-30-1 ]

Reference： [1]Chemische Berichte,1922,vol. 55,p. 1550

13
[ 583-47-1 ]
[ 17193-31-6 ]

Reference： [1]Hoppe-Seyler's Zeitschrift fur Physiologische Chemie,1926,vol. 157,p. 100
[2]Zhurnal Obshchei Khimii,1951,vol. 21,p. 1486,1488; engl. Ausg. S. 1621, 1623

14
[ 60-29-7 ]
[ 508220-75-5 ]
[ 583-47-1 ]

Reference： [1]Chemische Berichte,1922,vol. 55,p. 1550

15
[ 77357-58-5 ]
[ 583-47-1 ]

Reference： [1]Chemische Berichte,1908,vol. 41,p. 1725

16
[ 81375-37-3 ]
[ 583-47-1 ]

Reference： [1]Journal of the American Chemical Society,1952,vol. 74,p. 3688

17
[ 3588-57-6 ]
[ 583-47-1 ]

Reference： [1]Journal of Biological Chemistry,1953,vol. 204,p. 737,741
[2]Nippon Kagaku Zasshi,1956,vol. 77,p. 44,46
Chem.Abstr.,1958,p. 258
[3]Journal of the American Chemical Society,1952,vol. 74,p. 3688

18
[ 508220-75-5 ]
[ 583-47-1 ]

Reference： [1]Chemische Berichte,1922,vol. 55,p. 1550

19
[ 150-30-1 ]
[ 79-22-1 ]
[ 583-47-1 ]

Reference： [1]Patent: US2657972,1952,

20
[ 10467-10-4 ]
[ 583-47-1 ]
[ 40689-17-6 ]

Reference： [1]Monatshefte fur Chemie,1955,vol. 86,p. 75,86

21
[ 1147550-11-5 ]
[ 583-47-1 ]
[ 6330-09-2 ]

Reference： [1]Australian Journal of Scientific Research, Series A: Physical Sciences,1952,vol. <A> 5,p. 728,734
[2]Australian Journal of Scientific Research, Series A: Physical Sciences,1952,vol. 5,p. 728,732

22
[ 124-40-3 ]
[ 583-47-1 ]
[ 3705-50-8 ]

Reference： [1]Journal of the American Chemical Society,1957,vol. 79,p. 662

23
[ 4271-30-1 ]
[ 583-47-1 ]
N-<4-DL-Phenylalanylamino-benzoyl>-L-glutaminsaeure [ No CAS ]

Reference： [1]Journal of the Chemical Society C: Organic,1969,p. 1821 - 1824

24
[ 2921-14-4 ]
[ 583-47-1 ]
[ 79220-41-0 ]

Reference： [1]Journal of the Chemical Society C: Organic,1969,p. 1821 - 1824

25
[ 75-44-5 ]
[ 2899-52-7 ]
[ 583-47-1 ]

Reference： [1]Bulletin des Societes Chimiques Belges,1988,vol. 97,p. 45 - 47

26
[ 68790-38-5 ]
[ 583-47-1 ]
3-Benzyl-1,5-dihydro-benzo[b][1,4]diazepine-2,4-dione [ No CAS ]

Reference： [1]Tetrahedron Letters,1992,vol. 33,p. 1887 - 1888

27
[ 141871-02-5 ]
[ 583-47-1 ]
3-Benzyl-1-methyl-1,5-dihydro-benzo[b][1,4]diazepine-2,4-dione [ No CAS ]

Reference： [1]Tetrahedron Letters,1992,vol. 33,p. 1887 - 1888

28
[ 75-31-0 ]
[ 583-47-1 ]
[ 100316-78-7 ]

Reference： [1]Bulletin des Societes Chimiques Belges,1988,vol. 97,p. 45 - 47

29
[ 3252-83-3 ]
[ 583-47-1 ]
[ 96170-63-7 ]

Reference： [1]Helvetica Chimica Acta,1961,vol. 44,p. 1798 - 1801

30
[ 5680-83-1 ]
[ 583-47-1 ]
[ 95317-10-5 ]

Reference： [1]Helvetica Chimica Acta,1961,vol. 44,p. 1798 - 1801

31
[ 63221-10-3 ]
[ 583-47-1 ]
[ 101795-34-0 ]

Reference： [1]Helvetica Chimica Acta,1961,vol. 44,p. 1798 - 1801

32
[ 2443-68-7 ]
[ 583-47-1 ]
[ 99032-26-5 ]

Reference： [1]Helvetica Chimica Acta,1961,vol. 44,p. 1798 - 1801

33
[ 613-94-5 ]
[ 583-47-1 ]
[ 93311-72-9 ]

Reference： [1]Helvetica Chimica Acta,1961,vol. 44,p. 1798 - 1801

34
[ 1068-57-1 ]
[ 583-47-1 ]
[ 91337-82-5 ]

Reference： [1]Helvetica Chimica Acta,1961,vol. 44,p. 1798 - 1801

35
[ 37534-65-9 ]
[ 583-47-1 ]

Reference： [1]Tetrahedron Letters,1996,vol. 37,p. 9043 - 9046

36
[ 150-30-1 ]
[ 503-38-8 ]
[ 583-47-1 ]

Reference： [1]Acta Crystallographica, Section C: Crystal Structure Communications,1997,vol. 53,p. 1154 - 1156

59
[ 7446-70-0 ]
[ 75-09-2 ]
[ 583-47-1 ]
[ 26976-63-6 ]

Reference： [1]Journal of the Chemical Society,1951,p. 213

60
[ 7647-01-0 ]
[ 583-47-1 ]
[ 15028-44-1 ]

Reference： [1]Chemische Berichte,1922,vol. 55,p. 1550

61
[ 7647-01-0 ]
[ 583-47-1 ]
[ 150-30-1 ]

Reference： [1]Chemische Berichte,1922,vol. 55,p. 1550

62
[ 124-38-9 ]
[ 150-30-1 ]
[ 583-47-1 ]

Reference： [1]Patent: US2516145,1947,

63
[ 150-30-1 ]
Na₂CO₃ [ No CAS ]
[ 583-47-1 ]

Reference： [1]Justus Liebigs Annalen der Chemie,1958,vol. 611,p. 40,55

65
[ 32315-10-9 ]
[ 150-30-1 ]
[ 583-47-1 ]

Reference： [1]Organic Letters,2014,vol. 16,p. 1526 - 1529
[2]Journal of the American Chemical Society,2001,vol. 123,p. 12696 - 12697

66
[ 501-53-1 ]
[ 583-47-1 ]
[ 25613-61-0 ]

Reference： [1]Journal of the American Chemical Society,2001,vol. 123,p. 12696 - 12697

67
[ 2937-50-0 ]
[ 583-47-1 ]
[ 394210-47-0 ]

Reference： [1]Journal of the American Chemical Society,2001,vol. 123,p. 12696 - 12697

68
[ 583-47-1 ]
poly(DL-phenylalanine), cyclic, prepared by polymerization in tetramethylurea, inherent viscosity 0.13 dl/g for 2 g/l solution in dichloroacetic acid at 20 deg C; monomer(s): DL-phenylalanine N-carboxyanhydride [ No CAS ]

Reference： [1]Macromolecules,2005,vol. 38,p. 5513 - 5518

69
[ 583-47-1 ]
poly(DL-phenylalanine), cyclic, inherent viscosity 0.20 dl/g for 2 g/l solution in dichloroacetic acid at 20 deg C; monomer(s): DL-phenylalanine N-carboxyanhydride [ No CAS ]

Reference： [1]Macromolecules,2005,vol. 38,p. 5513 - 5518

70
[ 583-47-1 ]
poly(DL-phenylalanine), cyclic, inherent viscosity 0.15 dl/g for 2 g/l solution in dichloroacetic acid at 20 deg C; monomer(s): DL-phenylalanine N-carboxyanhydride [ No CAS ]

Reference： [1]Macromolecules,2005,vol. 38,p. 5513 - 5518

71
[ 583-47-1 ]
poly(DL-phenylalanine), cyclic, inherent viscosity 0.11 dl/g for 2 g/l solution in dichloroacetic acid at 20 deg C; monomer(s): DL-phenylalanine N-carboxyanhydride [ No CAS ]

Reference： [1]Macromolecules,2005,vol. 38,p. 5513 - 5518

72
[ 583-47-1 ]
poly(DL-phenylalanine), cyclic, prepared by polymerization in DMF, inherent viscosity 0.13 dl/g for 2 g/l solution in dichloroacetic acid at 20 deg C; monomer(s): DL-phenylalanine N-carboxyanhydride [ No CAS ]

Reference： [1]Macromolecules,2005,vol. 38,p. 5513 - 5518

73
[ 583-47-1 ]
poly(DL-phenylalanine), cyclic, inherent viscosity 0.16 dl/g for 2 g/l solution in dichloroacetic acid at 20 deg C; monomer(s): DL-phenylalanine N-carboxyanhydride [ No CAS ]

Reference： [1]Macromolecules,2005,vol. 38,p. 5513 - 5518

74
[ 583-47-1 ]
[ 1161-13-3 ]

Reference： [1]Journal of the American Chemical Society,2001,vol. 123,p. 12696 - 12697

75
[ 583-47-1 ]
[ 35909-92-3 ]

Reference： [1]Journal of the American Chemical Society,2001,vol. 123,p. 12696 - 12697

76
[ 583-47-1 ]
[ 90508-20-6 ]

Reference： [1]Journal of the American Chemical Society,2001,vol. 123,p. 12696 - 12697

77
[ 583-47-1 ]
[ 128369-71-1 ]

Reference： [1]Journal of the American Chemical Society,2001,vol. 123,p. 12696 - 12697

78
[ 583-47-1 ]
[ 37440-07-6 ]

Reference： [1]Journal of the American Chemical Society,2001,vol. 123,p. 12696 - 12697

79
[ 583-47-1 ]
[ 152507-71-6 ]

Reference： [1]Journal of the American Chemical Society,2001,vol. 123,p. 12696 - 12697

80
[ 583-47-1 ]
(R)-methyl-(N-allyloxycarbonyl)phenylalaninate [ No CAS ]

Reference： [1]Journal of the American Chemical Society,2001,vol. 123,p. 12696 - 12697

81
[ 150-30-1 ]
[ 583-47-1 ]

Reference： [1]Bulletin des Societes Chimiques Belges,1988,vol. 97,p. 45 - 47
[2]Chemische Berichte,1908,vol. 41,p. 1725

82
[ 583-47-1 ]
TMS-DL-Phe-NHi-Pr [ No CAS ]

Reference： [1]Bulletin des Societes Chimiques Belges,1988,vol. 97,p. 45 - 47

83
[ 583-47-1 ]
[ 117467-80-8 ]

Reference： [1]Bulletin des Societes Chimiques Belges,1988,vol. 97,p. 45 - 47

84
[ 583-47-1 ]
[ 98797-44-5 ]

Reference： [1]Bulletin des Societes Chimiques Belges,1988,vol. 97,p. 45 - 47

85
[ 583-47-1 ]
[ 90288-38-3 ]

Reference： [1]Bulletin des Societes Chimiques Belges,1988,vol. 97,p. 45 - 47

86
[ 583-47-1 ]
[ 117467-77-3 ]

Reference： [1]Bulletin des Societes Chimiques Belges,1988,vol. 97,p. 45 - 47

87
[ 583-47-1 ]
[ 76374-08-8 ]

Reference： [1]Bulletin des Societes Chimiques Belges,1988,vol. 97,p. 45 - 47

88
[ 583-47-1 ]
[ 76379-34-5 ]

Reference： [1]Bulletin des Societes Chimiques Belges,1988,vol. 97,p. 45 - 47

89
[ 5814-10-8 ]
[ 583-47-1 ]

Reference： [1]Chemische Berichte,1922,vol. 55,p. 1550

90
[ 583-47-1 ]
[ 23961-11-7 ]

Reference： [1]Journal of the Chemical Society C: Organic,1969,p. 1821 - 1824

91
[ 583-47-1 ]
[ 79220-41-0 ]

Reference： [1]Journal of the Chemical Society,1964,p. 3941 - 3951

92
[ 150-30-1 ]
[ 59483-84-0 ]
[ 583-47-1 ]

Yield	Reaction Conditions	Operation in experiment
56%	In tetrahydrofuran; at 60℃; for 60.0h;Product distribution / selectivity;	Example 3 (Synthesis of N-Carboxyphenylalanine Anhydride) Into a two-neck round-bottom flask having a capacity of 25 mL and equipped with a Dimroth condenser were introduced 165 mg (1 mmol) of phenylalanine and 10 mL of tetrahydrofuran in a nitrogen atmosphere. To the resultant solution was added 396 mg (1 mmol) of bis(pentafluorophenyl) carbonate. The mixture was stirred at 60 C. for 60 hours. This reaction mixture was analyzed by NMR spectroscopy using dioxane as an internal reference. As a result, it was ascertained that N-carboxyphenylalanine anhydride had been obtained in a yield of 56%.

Reference： [1]Patent: US2007/15932,2007,A1 .Location in patent: Page/Page column 4

93
[ 150-30-1 ]
[ 7497-12-3 ]
[ 583-47-1 ]

Yield	Reaction Conditions	Operation in experiment
100%	In tetrahydrofuran; at 60℃; for 91.0h;Product distribution / selectivity;	Example 2 (Synthesis of N-Carboxyphenylalanine Anhydride) Into a two-neck round-bottom flask having a capacity of 25 mL and equipped with a Dimroth condenser were introduced 165 mg (1 mmol) of phenylalanine and 10 mL of tetrahydrofuran in a nitrogen atmosphere. To the resultant solution was added 394 mg (1 mmol) of bis(2,4-dinitrophenyl) carbonate. The mixture was stirred at 60 C. for 91 hours. This reaction mixture was analyzed by NMR spectroscopy using dioxane as an internal reference. As a result, it was ascertained that N-carboxyphenylalanine anhydride had been obtained in a yield of 100%.

Reference： [1]Patent: US2007/15932,2007,A1 .Location in patent: Page/Page column 4

94
[ 5070-13-3 ]
[ 150-30-1 ]
[ 583-47-1 ]

Yield	Reaction Conditions	Operation in experiment
10%	In tetrahydrofuran; at 60℃; for 27.0h;Product distribution / selectivity;	Example 1 (Synthesis of N-Carboxyphenylalanine Anhydride) Into a two-neck round-bottom flask having a capacity of 25 mL and equipped with a Dimroth condenser were introduced 165 mg (1 mmol) of phenylalanine and 10 mL of tetrahydrofuran in a nitrogen atmosphere. To the resultant solution was added 304 mg (1 mmol) of bis(4-nitrophenyl) carbonate, The mixture was stirred at 60 C. for 27 hours. This reaction mixture was analyzed by NMR spectroscopy using dioxane as an internal reference. As a result, it was found that N-carboxyphenylalanine anhydride had been obtained in a yield of 13%. Furthermore, this reaction mixture was subjected to column isolation to obtain N-carboxyphenylalanine anhydride in an amount of 19 mg (isolation yield, 10%). Spectral data for the N-carboxyphenylalanine anhydride: 1H NMR (CDCl3) delta: 2.98-3.30 (m, 2H), 4.52-4.55 (m, 1H, -CH<), 6.21 (brs, 1H, -NH-), 7.17-7.38 (m, 5H). 13C NMR (CDCl3) delta: 37.76, 58.80, 127.98, 129.16, 129.20, 133.81, 151.88, 168.65.

Reference： [1]Patent: US2007/15932,2007,A1 .Location in patent: Page/Page column 4

95
N-(4-nitrophenoxycarbonyl)phenylalanine [ No CAS ]
[ 583-47-1 ]

Yield	Reaction Conditions	Operation in experiment
57%	In chloroform-d1; for 96.0h;Heating / reflux;Product distribution / selectivity;	Into a two-neck round-bottom flask having a capacity of 10 mL and equipped with a Dimroth condenser were introduced 99 mg (0.3 mmol) of the N-(4-nitrophenoxycarbonyl)phenylalanine and 3 mL of chloroform-d in a nitrogen atmosphere. The mixture was refluxed for 128 hours. This reaction mixture was analyzed by NMR spectroscopy using dioxane as an internal reference. As a result, it was found that N-carboxyphenylalanine anhydride had been obtained in a yield of 57% in a reaction time of 96 hours. Furthermore, this reaction mixture was subjected to column isolation to obtain N-carboxyphenylalanine anhydride.

Reference： [1]Patent: US2007/15932,2007,A1 .Location in patent: Page/Page column 6

96
[ 63-91-2 ]
[ 583-47-1 ]

Reference： [1]Patent: EP2322515,2011,A1

97
N-phenoxycarbonyl-L-phenylalanine [ No CAS ]
[ 583-47-1 ]

Yield	Reaction Conditions	Operation in experiment
>= 99%	With 2,2-diphenylacetic acid; phenol; In butanone; at 80℃; for 30.0h;Inert atmosphere;Product distribution / selectivity;	Example 3Under a nitrogen atmosphere, 430 mg (2 mmol) of diphenyl carbonate and 5 mL of 2-butanone were loaded into a round bottom flask having a volume of 100 mL, and then the mixture was stirred at -20C. A solution prepared by dissolving 550 mg (2 mmol) of 1-ethyl-3-methylimidazolium phenylalanine salt in 15 mL of 2-butanone was slowly dropped to the solution, and then the mixture was stirredat -20 C for 8 hours. After that, a 1M aqueous HCl solution was added to the mixture to terminate the reaction. The resultant was concentrated with an evaporator. Next, water was added to the concentrated product, and then the resultant was extracted with ethyl acetate. After that, the resultant was concentrated with an evaporator. Thus, a crude product was obtained. Next, the crude product was purified by column chromatography. Thus, N-phenoxycarbonyl-L-phenylalanine was obtained. An isolation amount and an isolation yield were 528. 9 mg and 93%, respectively.Under a nitrogen atmosphere, 571 mg (2 mmol) of N-phenoxycarbonyl-L-phenylalanine, 424 mg (2 mmol) of diphenylacetic acid, and 20 mL of acetonitrile were loaded into a two-necked round bottom flask having a volume of 100 mL and mounted with a Dimroth condenser, and then the mixture was stirred at 80C for 30 hours. The fact that N-carboxy-phenylalanine anhydride was obtained in a yield of 99% or more was confirmed by subjecting the reaction mixture to NMR determination.

Reference： [1]Patent: EP2322515,2011,A1 .Location in patent: Page/Page column 13

98
1-ethyl-3-methylimidazolium α-aminohydrocinnamic acid salt [ No CAS ]
[ 583-47-1 ]

Reference： [1]Patent: EP2322515,2011,A1

99
[ 133565-25-0 ]
[ 583-47-1 ]

Reference： [1]Patent: EP2322515,2011,A1

100
[ 1213763-81-5 ]
[ 583-47-1 ]

Reference： [1]Patent: EP2322515,2011,A1

101
[ 1213763-83-7 ]
[ 583-47-1 ]

Reference： [1]Patent: EP2322515,2011,A1

102
[ 124-30-1 ]
[ 583-47-1 ]
[ 1239669-23-8 ]

Reference： [1]Bioconjugate Chemistry,2010,vol. 21,p. 1473 - 1478

103
[ 583-47-1 ]
[ 1239669-24-9 ]

Reference： [1]Bioconjugate Chemistry,2010,vol. 21,p. 1473 - 1478

104
[ 583-47-1 ]
C₆₁H₉₄N₆O₈ [ No CAS ]

Reference： [1]Bioconjugate Chemistry,2010,vol. 21,p. 1473 - 1478

105
[ 583-47-1 ]
[ 1240503-04-1 ]

Reference： [1]Bioconjugate Chemistry,2010,vol. 21,p. 1473 - 1478

106
[ 583-47-1 ]
[ 1240503-05-2 ]

Reference： [1]Bioconjugate Chemistry,2010,vol. 21,p. 1473 - 1478

107
[ 583-47-1 ]
[ 2633-66-1 ]
[ 1567898-67-2 ]

Reference： [1]Organic Letters,2014,vol. 16,p. 1526 - 1529

108
[ 32315-10-9 ]
[ 23338-68-3 ]
[ 583-47-1 ]

Reference： [1]Angewandte Chemie - International Edition,2018,vol. 57,p. 11389 - 11393
Angew. Chem.,2018,vol. 130,p. 11559 - 11563,5

109
[ 10065-72-2 ]
[ 583-47-1 ]
H-DL-Phe-L-Ala methyl ester [ No CAS ]

Reference： [1]Angewandte Chemie - International Edition,2018,vol. 57,p. 11389 - 11393
Angew. Chem.,2018,vol. 130,p. 11559 - 11563,5

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Technical Information

• 1,4-Addition of an Amine to a Conjugated Enone • 1,4-Additions of Organometallic Reagents • Acetal Formation • Acid-Catalyzed α -Halogenation of Ketones • Acids Combine with Acyl Halides to Produce Anhydrides • Acyl Group Substitution • Add Hydrogen Cyanide to Aldehydes and Ketones to Produce Alcohols • Alcohol Syntheses from Aldehydes, Ketones and Organometallics • Alcohols Convert Acyl Chlorides into Esters • Alcoholysis of Anhydrides • Aldehydes and Ketones Form Hemiacetals Reversibly • Aldehydes May Made by Terminal Alkynes Though Hydroboration-oxidation • Aldol Addition • Aldol Condensation • Alkenes React with Ozone to Produce Carbonyl Compounds • Alkylation of Aldehydes or Ketones • Alkylation of Enolate Ions • Amide Hydrolysis • Amide Hydrolysis • Amides Can Be Converted into Aldehydes • Amines Convert Acyl Chlorides into Amides • Amines Convert Esters into Amides • Anhydride Hydrolysis • Baeyer-Villiger Oxidation • Barbier Coupling Reaction • Base-Catalyzed Hydration of α,β -Unsaturated Aldehydes and Ketones • Baylis-Hillman Reaction • Bouveault-Blanc Reduction • Bucherer-Bergs Reaction • Catalytic Hydrogenation • Chan-Lam Coupling Reaction • Claisen Condensations Produce β-Dicarbonyl Compounds • Claisen Condensations Produce β-Dicarbonyl Compounds • Clemmensen Reduction • Complex Metal Hydride Reductions • Conjugated Enone Takes Part in 1,4-Additions • Convert Esters into Aldehydes Using a Milder Reducing Agent • Corey-Bakshi-Shibata (CBS) Reduction • Corey-Chaykovsky Reaction • Cyanohydrins can be Convert to Carbonyl Compounds under Basic Conditions • Decarboxylation of 3-Ketoacids Yields Ketones • Decarboxylation of Substituted Propanedioic • Deoxygenation of the Carbonyl Group • Deprotection of Cbz-Amino Acids • Deprotonation of a Carbonyl Compound at the α -Carbon • Diorganocuprates Convert Acyl Chlorides into Ketones • Dithioacetal Formation • Enamines Can Be Used to Prepare Alkylated Aldehydes • Enol-Keto Equilibration • Enolate Ions Are Protonated to Form ketones • Ester Cleavage • Ester Hydrolysis • Exclusive 1,4-Addition of a Lithium Organocuprate • Fischer Indole Synthesis • Formation of an Amide from an Amine and a Carboxylic Acid • Formation of an Amide from an Amine and a Carboxylic Acid • Friedel-Crafts Alkylation of Benzene with Carboxylic Anhydrides • Furan Hydrolyzes to Dicarbonyl Compounds • Geminal Diols and Acetals Can Be Hydrolyzed to Carbonyl Compounds • Grignard Reaction • Grignard Reagents Transform Esters into Alcohols • Hantzsch Pyridine Synthesis • Hemiaminal Formation from Amines and Aldehydes or Ketones • Hemiaminal Formation from Amines and Aldehydes or Ketones • Henry Nitroaldol Reaction • HIO4 Oxidatively Degrades Vicinal Diols to Give Carbonyl Derivatives • Hofmann Rearrangement • Horner-Wadsworth-Emmons Reaction • Hydration of the Carbonyl Group • Hydride Reductions • Hydride Reductions of Aldehydes and Ketones to Alcohols • Hydride Reductions of Aldehydes and Ketones to Alcohols • Hydrogenation by Palladium on Carbon Gives the Saturated Carbonyl Compound • Hydrolysis of Imines to Aldehydes and Ketones • Imine Formation from Amines and Aldehydes or Ketones • Isomerization of β, γ -Unsaturated Carbonyl Compounds • Ketone Synthesis from Nitriles • Ketones Undergo Mixed Claisen Reactions to Form β-Dicarbonyl Compounds • Lawesson's Reagent • Leuckart-Wallach Reaction • Lithium Organocuprate may Add to the α ,β -Unsaturated Carbonyl Function in 1,4-Fashion • Mannich Reaction • McMurry Coupling • Meerwein-Ponndorf-Verley Reduction • Mercury Ions Catalyze Alkynes to Ketones • Michael Addition • Oxidation of Alcohols to Carbonyl Compounds • Oxidation of Alkyl-substituted Benzenes Gives Aromatic Ketones • Passerini Reaction • Paternò-Büchi Reaction • Petasis Reaction • Peterson Olefination • Phenylhydrazone and Phenylosazone Formation • Pictet-Spengler Tetrahydroisoquinoline Synthesis • Preparation of Aldehydes and Ketones • Preparation of Amines • Prins Reaction • Pyrroles, Furans, and Thiophenes are Prepared from γ-Dicarbonyl Compounds • Reactions of Aldehydes and Ketones • Reactions of Amines • Reactions of Benzene and Substituted Benzenes • Reactions with Organometallic Reagents • Reduction of an Amide to an Amine • Reduction of an Amide to an Amine • Reduction of an Ester to an Alcohol • Reduction of an Ester to an Aldehyde • Reductive Amination • Reductive Amination • Reformatsky Reaction • Robinson Annulation • Schlosser Modification of the Wittig Reaction • Schmidt Reaction • Specialized Acylation Reagents-Carbodiimides and Related Reagents • Specialized Acylation Reagents-Ketenes • Stobbe Condensation • Strecker Synthesis • Tebbe Olefination • The Acylium Ion Attack Benzene to Form Phenyl Ketones • The Claisen Rearrangement • The Cycloaddition of Dienes to Alkenes Gives Cyclohexenes • The Reaction of Alkynyl Anions with Carbonyl Derivatives • The Wittig Reaction • Thiazolium Salt Catalysis in Aldehyde Coupling • Thiazolium Salts Catalyze Aldehyde Coupling • Thiazolium Salts Catalyze Aldehyde Coupling • Transesterification • Ugi Reaction • Use 1,3-dithiane to Prepare of α-Hydroxyketones • Wittig Reaction • Wolff-Kishner Reduction

Historical Records

Related Functional Groups of
[ 583-47-1 ]

Aryls

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Ethyl (S)-2-[(S)-4-Methyl-2,5-dioxo-3-oxazolidinyl]-4-phenylbutanoate

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(R)-Methyl 2-((tert-butoxycarbonyl)amino)-3-(naphthalen-2-yl)propanoate

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Boc-Phe(3,5-Me)-OH

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(S)-Methyl 2-((tert-butoxycarbonyl)amino)-3-(4-cyanophenyl)propanoate

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(S)-Benzyl (4-(2,5-dioxooxazolidin-4-yl)butyl)carbamate

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Acid Anhydrides

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Ethyl (S)-2-[(S)-4-Methyl-2,5-dioxo-3-oxazolidinyl]-4-phenylbutanoate

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(S)-10,10a-Dihydro-1H-oxazolo[3,4-b]isoquinoline-1,3(5H)-dione

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N6-Carbobenzoxy-DL-lysine N-Carboxyanhydride

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(S)-Benzyl (4-(2,5-dioxooxazolidin-4-yl)butyl)carbamate

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(S)-Benzyl 2-(2,5-dioxooxazolidin-4-yl)acetate

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Amides

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Ethyl (S)-2-[(S)-4-Methyl-2,5-dioxo-3-oxazolidinyl]-4-phenylbutanoate

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(R)-Methyl 2-((tert-butoxycarbonyl)amino)-3-(naphthalen-2-yl)propanoate

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Boc-Phe(3,5-Me)-OH

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(S)-10,10a-Dihydro-1H-oxazolo[3,4-b]isoquinoline-1,3(5H)-dione

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(S)-Methyl 2-((tert-butoxycarbonyl)amino)-3-(4-cyanophenyl)propanoate

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Esters

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Ethyl (S)-2-[(S)-4-Methyl-2,5-dioxo-3-oxazolidinyl]-4-phenylbutanoate

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(R)-Methyl 2-((tert-butoxycarbonyl)amino)-3-(naphthalen-2-yl)propanoate

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(S)-10,10a-Dihydro-1H-oxazolo[3,4-b]isoquinoline-1,3(5H)-dione

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(S)-Methyl 2-((tert-butoxycarbonyl)amino)-3-(4-cyanophenyl)propanoate

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(S)-Benzyl (4-(2,5-dioxooxazolidin-4-yl)butyl)carbamate

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Related Parent Nucleus of
[ 583-47-1 ]

Oxazolidines

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Ghs Precautionary Statements

Precautionary Statements-General
Code	Phrase
P101	If medical advice is needed,have product container or label at hand.
P102	Keep out of reach of children.
P103	Read label before use
Prevention
Code	Phrase
P201	Obtain special instructions before use.
P202	Do not handle until all safety precautions have been read and understood.
P210	Keep away from heat/sparks/open flames/hot surfaces. - No smoking.
P211	Do not spray on an open flame or other ignition source.
P220	Keep/Store away from clothing/combustible materials.
P221	Take any precaution to avoid mixing with combustibles
P222	Do not allow contact with air.
P223	Keep away from any possible contact with water, because of violent reaction and possible flash fire.
P230	Keep wetted
P231	Handle under inert gas.
P232	Protect from moisture.
P233	Keep container tightly closed.
P234	Keep only in original container.
P235	Keep cool
P240	Ground/bond container and receiving equipment.
P241	Use explosion-proof electrical/ventilating/lighting/equipment.
P242	Use only non-sparking tools.
P243	Take precautionary measures against static discharge.
P244	Keep reduction valves free from grease and oil.
P250	Do not subject to grinding/shock/friction.
P251	Pressurized container: Do not pierce or burn, even after use.
P260	Do not breathe dust/fume/gas/mist/vapours/spray.
P261	Avoid breathing dust/fume/gas/mist/vapours/spray.
P262	Do not get in eyes, on skin, or on clothing.
P263	Avoid contact during pregnancy/while nursing.
P264	Wash hands thoroughly after handling.
P265	Wash skin thouroughly after handling.
P270	Do not eat, drink or smoke when using this product.
P271	Use only outdoors or in a well-ventilated area.
P272	Contaminated work clothing should not be allowed out of the workplace.
P273	Avoid release to the environment.
P280	Wear protective gloves/protective clothing/eye protection/face protection.
P281	Use personal protective equipment as required.
P282	Wear cold insulating gloves/face shield/eye protection.
P283	Wear fire/flame resistant/retardant clothing.
P284	Wear respiratory protection.
P285	In case of inadequate ventilation wear respiratory protection.
P231 + P232	Handle under inert gas. Protect from moisture.
P235 + P410	Keep cool. Protect from sunlight.
Response
Code	Phrase
P301	IF SWALLOWED:
P304	IF INHALED:
P305	IF IN EYES:
P306	IF ON CLOTHING:
P307	IF exposed:
P308	IF exposed or concerned:
P309	IF exposed or if you feel unwell:
P310	Immediately call a POISON CENTER or doctor/physician.
P311	Call a POISON CENTER or doctor/physician.
P312	Call a POISON CENTER or doctor/physician if you feel unwell.
P313	Get medical advice/attention.
P314	Get medical advice/attention if you feel unwell.
P315	Get immediate medical advice/attention.
P320
P302 + P352	IF ON SKIN: wash with plenty of soap and water.
P321
P322
P330	Rinse mouth.
P331	Do NOT induce vomiting.
P332	IF SKIN irritation occurs:
P333	If skin irritation or rash occurs:
P334	Immerse in cool water/wrap n wet bandages.
P335	Brush off loose particles from skin.
P336	Thaw frosted parts with lukewarm water. Do not rub affected area.
P337	If eye irritation persists:
P338	Remove contact lenses, if present and easy to do. Continue rinsing.
P340	Remove victim to fresh air and keep at rest in a position comfortable for breathing.
P341	If breathing is difficult, remove victim to fresh air and keep at rest in a position comfortable for breathing.
P342	If experiencing respiratory symptoms:
P350	Gently wash with plenty of soap and water.
P351	Rinse cautiously with water for several minutes.
P352	Wash with plenty of soap and water.
P353	Rinse skin with water/shower.
P360	Rinse immediately contaminated clothing and skin with plenty of water before removing clothes.
P361	Remove/Take off immediately all contaminated clothing.
P362	Take off contaminated clothing and wash before reuse.
P363	Wash contaminated clothing before reuse.
P370	In case of fire:
P371	In case of major fire and large quantities:
P372	Explosion risk in case of fire.
P373	DO NOT fight fire when fire reaches explosives.
P374	Fight fire with normal precautions from a reasonable distance.
P376	Stop leak if safe to do so. Oxidising gases (section 2.4) 1
P377	Leaking gas fire: Do not extinguish, unless leak can be stopped safely.
P378
P380	Evacuate area.
P381	Eliminate all ignition sources if safe to do so.
P390	Absorb spillage to prevent material damage.
P391	Collect spillage. Hazardous to the aquatic environment
P301 + P310	IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician.
P301 + P312	IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
P301 + P330 + P331	IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.
P302 + P334	IF ON SKIN: Immerse in cool water/wrap in wet bandages.
P302 + P350	IF ON SKIN: Gently wash with plenty of soap and water.
P303 + P361 + P353	IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.
P304 + P312	IF INHALED: Call a POISON CENTER or doctor/physician if you feel unwell.
P304 + P340	IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.
P304 + P341	IF INHALED: If breathing is difficult, remove victim to fresh air and keep at rest in a position comfortable for breathing.
P305 + P351 + P338	IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
P306 + P360	IF ON CLOTHING: Rinse Immediately contaminated CLOTHING and SKIN with plenty of water before removing clothes.
P307 + P311	IF exposed: call a POISON CENTER or doctor/physician.
P308 + P313	IF exposed or concerned: Get medical advice/attention.
P309 + P311	IF exposed or if you feel unwell: call a POISON CENTER or doctor/physician.
P332 + P313	IF SKIN irritation occurs: Get medical advice/attention.
P333 + P313	IF SKIN irritation or rash occurs: Get medical advice/attention.
P335 + P334	Brush off loose particles from skin. Immerse in cool water/wrap in wet bandages.
P337 + P313	IF eye irritation persists: Get medical advice/attention.
P342 + P311	IF experiencing respiratory symptoms: call a POISON CENTER or doctor/physician.
P370 + P376	In case of fire: Stop leak if safe to Do so.
P370 + P378	In case of fire:
P370 + P380	In case of fire: Evacuate area.
P370 + P380 + P375	In case of fire: Evacuate area. Fight fire remotely due to the risk of explosion.
P371 + P380 + P375	In case of major fire and large quantities: Evacuate area. Fight fire remotely due to the risk of explosion.
Storage
Code	Phrase
P401
P402	Store in a dry place.
P403	Store in a well-ventilated place.
P404	Store in a closed container.
P405	Store locked up.
P406	Store in corrosive resistant/ container with a resistant inner liner.
P407	Maintain air gap between stacks/pallets.
P410	Protect from sunlight.
P411
P412	Do not expose to temperatures exceeding 50 oC/ 122 oF.
P413
P420	Store away from other materials.
P422
P402 + P404	Store in a dry place. Store in a closed container.
P403 + P233	Store in a well-ventilated place. Keep container tightly closed.
P403 + P235	Store in a well-ventilated place. Keep cool.
P410 + P403	Protect from sunlight. Store in a well-ventilated place.
P410 + P412	Protect from sunlight. Do not expose to temperatures exceeding 50 oC/122oF.
P411 + P235	Keep cool.
Disposal
Code	Phrase
P501	Dispose of contents/container to ...
P502	Refer to manufacturer/supplier for information on recovery/recycling

Purity	Size	Price	VIP Price	USA Stock *0-1 Day	Global Stock *5-7 Days	Quantity
{[ item.p_purity ]}	{[ item.pr_size ]}	Inquiry	{[ getRatePrice(item.pr_usd, 1,1,item.pr_is_large_size_no_price) ]} {[ getRatePrice(item.pr_usd,item.pr_rate,item.mem_rate,item.pr_is_large_size_no_price) ]}	{[ getRatePrice(item.pr_usd, 1,1,item.pr_is_large_size_no_price) ]}	Inquiry {[ getRatePrice(item.pr_usd,item.pr_rate,item.mem_rate,item.pr_is_large_size_no_price) ]} {[ getRatePrice(item.pr_usd,1,item.mem_rate,item.pr_is_large_size_no_price) ]}	{[ item.pr_usastock ]}		{[ item.pr_chinastock ]}	{[ item.pr_remark ]}

Physical hazards
Code	Phrase
H200	Unstable explosive
H201	Explosive; mass explosion hazard
H202	Explosive; severe projection hazard
H203	Explosive; fire, blast or projection hazard
H204	Fire or projection hazard
H205	May mass explode in fire
H220	Extremely flammable gas
H221	Flammable gas
H222	Extremely flammable aerosol
H223	Flammable aerosol
H224	Extremely flammable liquid and vapour
H225	Highly flammable liquid and vapour
H226	Flammable liquid and vapour
H227	Combustible liquid
H228	Flammable solid
H229	Pressurized container: may burst if heated
H230	May react explosively even in the absence of air
H231	May react explosively even in the absence of air at elevated pressure and/or temperature
H240	Heating may cause an explosion
H241	Heating may cause a fire or explosion
H242	Heating may cause a fire
H250	Catches fire spontaneously if exposed to air
H251	Self-heating; may catch fire
H252	Self-heating in large quantities; may catch fire
H260	In contact with water releases flammable gases which may ignite spontaneously
H261	In contact with water releases flammable gas
H270	May cause or intensify fire; oxidizer
H271	May cause fire or explosion; strong oxidizer
H272	May intensify fire; oxidizer
H280	Contains gas under pressure; may explode if heated
H281	Contains refrigerated gas; may cause cryogenic burns or injury
H290	May be corrosive to metals
Health hazards
Code	Phrase
H300	Fatal if swallowed
H301	Toxic if swallowed
H302	Harmful if swallowed
H303	May be harmful if swallowed
H304	May be fatal if swallowed and enters airways
H305	May be harmful if swallowed and enters airways
H310	Fatal in contact with skin
H311	Toxic in contact with skin
H312	Harmful in contact with skin
H313	May be harmful in contact with skin
H314	Causes severe skin burns and eye damage
H315	Causes skin irritation
H316	Causes mild skin irritation
H317	May cause an allergic skin reaction
H318	Causes serious eye damage
H319	Causes serious eye irritation
H320	Causes eye irritation
H330	Fatal if inhaled
H331	Toxic if inhaled
H332	Harmful if inhaled
H333	May be harmful if inhaled
H334	May cause allergy or asthma symptoms or breathing difficulties if inhaled
H335	May cause respiratory irritation
H336	May cause drowsiness or dizziness
H340	May cause genetic defects
H341	Suspected of causing genetic defects
H350	May cause cancer
H351	Suspected of causing cancer
H360	May damage fertility or the unborn child
H361	Suspected of damaging fertility or the unborn child
H361d	Suspected of damaging the unborn child
H362	May cause harm to breast-fed children
H370	Causes damage to organs
H371	May cause damage to organs
H372	Causes damage to organs through prolonged or repeated exposure
H373	May cause damage to organs through prolonged or repeated exposure
Environmental hazards
Code	Phrase
H400	Very toxic to aquatic life
H401	Toxic to aquatic life
H402	Harmful to aquatic life
H410	Very toxic to aquatic life with long-lasting effects
H411	Toxic to aquatic life with long-lasting effects
H412	Harmful to aquatic life with long-lasting effects
H413	May cause long-lasting harmful effects to aquatic life
H420	Harms public health and the environment by destroying ozone in the upper atmosphere

[ CAS No. 583-47-1 ] {[proInfo.proName]}

Quality Control of [ 583-47-1 ]

Related Doc. of [ 583-47-1 ]

Product Details of [ 583-47-1 ]

Calculated chemistry of [ 583-47-1 ] Expand+

Physicochemical Properties

Pharmacokinetics

Lipophilicity

Druglikeness

Water Solubility

Medicinal Chemistry

Safety of [ 583-47-1 ]

Application In Synthesis of [ 583-47-1 ]

[ 583-47-1 ] Synthesis Path-Downstream 1~109

Technical Information

Related Functional Groups of [ 583-47-1 ]

Aryls

Acid Anhydrides

Amides

Esters

Related Parent Nucleus of [ 583-47-1 ]

Oxazolidines

Precautionary Statements-General

Prevention

Response

Storage

Disposal

Physical hazards

Health hazards

Environmental hazards

Inquiry

Related Functional Groups of
[ 583-47-1 ]

Related Parent Nucleus of
[ 583-47-1 ]