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88043-21-4

88043-21-4 Structure

88043-21-4 Structure
IdentificationBack Directory
[Name]

N-Boc-trans-4-tosyloxy-L-proline methyl ester
[CAS]

88043-21-4
[Synonyms]

TRANS-BTPME
(4R)-4-TsO-N-Boc-Pro-OMe
Boc-trans-4-tosyloxy-L-proline methyl ester
N-BOC-TRANS-4-TOSYLOXY-L-PROLINE METHYL ESTER
N-Boc-trans-4-(p-tosyloxy)-L-proline methyl ester
trans-N-tert-Butyloxycarbonyl-4-tosyloxy-L-proline Methyl Ester
N-Boc-trans-4-(p-toluenesulfonyloxy)-L-proline Methyl ester, 98%
N-tert-Butoxycarbonyl-O-p-toluenesulfonyl-L-proline methyl ester
N-TERT-BUTYLOXYCARBONYL-O-P-TOLUENESULFONYL-L-PROLINE METHYL ESTER
BOC-trans-4-tosyloxy-L-proline methyl ester:(4R)-4-TsO-N-Boc-Pro-OMe
(2S,4R)-1-tert-butyl 2-methyl 4-(tosyloxy)pyrrolidine-1,2-dicarboxylate
N-TERT-BUTYLOXYCARBONYL-TRANS-4-P-TOLUYLSULFONYLOXY-L-PROLINE METHYL ESTER
N-(tert-Butoxycarbonyl)-trans-4-(p-toluenesulfonyloxy)-L-proline Methyl Ester
tert-Butyl Methyl (2S,4R)-4-[[(4-Methylphenyl)sulfonyl]oxy]pyrrolidine-1,2-dic
(2S,4R)-4-[[(4-Methylphenyl)sulfonyl]oxy]-1,2-pyrrolidinedicarboxylic Acid 1-(1,1-DiMethylethyl) 2-Methyl Ester
1,2-Pyrrolidinedicarboxylic acid, 4-[[(4-Methylphenyl)sulfonyl]oxy]-, 1-(1,1-diMethylethyl) 2-Methyl ester, (2S,4R)-
1,2-pyridinedicarboxylic acid, 4-(((4-methylphenyl)-sulfonyl(oxyl(-1-(1,1-dimethylethyl)-2-methyl ester, (2S, trans)
1,2-PYRIDINEDICARBOXYLIC ACID, 4-[[(4-METHYLPHENYL)-SULFONYL]OXYL]-1-(1,1-DIMETHYLETHYL)-2-METHYL ESTER, (2S, TRANS)
[EINECS(EC#)]

686-032-1
[Molecular Formula]

C18H25NO7S
[MDL Number]

MFCD01630752
[MOL File]

88043-21-4.mol
[Molecular Weight]

399.46
Chemical PropertiesBack Directory
[Appearance]

Colourless crystals
[Melting point ]

77.0 to 81.0 °C
[Boiling point ]

508.1±50.0 °C(Predicted)
[density ]

1.30±0.1 g/cm3(Predicted)
[storage temp. ]

2-8°C
[solubility ]

Chloroform
[form ]

Solid
[pka]

-5.65±0.60(Predicted)
[color ]

White
[Optical Rotation]

Consistent with structure
[λmax]

274nm(CHCl3)(lit.)
[CAS DataBase Reference]

88043-21-4
Hazard InformationBack Directory
[Chemical Properties]

Colourless crystals
[Uses]

4-Hydroxy-L-proline (H952376) derivative. Used in the preparation of bicycloazahydantoins, as androgen receptor antagonists
[Synthesis]

N-Boc-trans-4-Hydroxy-L-proline methyl ester

74844-91-0

Tosyl chloride

98-59-9

N-Boc-trans-4-tosyloxy-L-proline methyl ester

88043-21-4

General procedure for the synthesis of BOC-trans-4-tosyl-L-proline methyl ester from N-Boc-trans-4-hydroxy-L-proline methyl ester and p-toluenesulfonyl chloride: 1-tert-butyl-2-methyl-(2S,4R)-4-hydroxypyrrolidine-1,2-dicarboxylate (30.00 g, 122.3 mmol) and triethylamine (51.1 mL. 367 mmol) were dissolved in CH2Cl2 (500 mL), followed by the addition of p-toluenesulfonyl chloride (28.0 g, 147 mmol) and 4-dimethylaminopyridine (1.00 g, 8.18 mmol). The reaction mixture was stirred at room temperature overnight.TLC (hexane solution of 50% ethyl acetate) showed that the reaction was incomplete, so 0.5 equivalents (14 g) of p-toluenesulfonyl chloride was added additionally and stirring was continued overnight.After TLC confirmed that the feedstock was completely consumed, the reaction mixture was diluted with 300 mL of CH2Cl2, and the reaction mixture was sequentially diluted with 1.0 N HCl (2 × 100 mL), 1.0 N NaOH ( 2 × 100 mL) and brine (1 × 100 mL) was washed and the organic layer was dried with Na2SO4. The solvent was concentrated under reduced pressure to give a dark colored oil containing crystalline solids. Purification by silica gel column chromatography (450 g silica gel, 25% ethyl acetate in hexane solution) gave 47.4 g (97%) of light brown oily product.1H NMR (400 MHz, CDCl3) δ ppm 1.32-1.48 (m, 9H), 2.07-2.23 (m, 1H), 2.34-2.62 (m, 4H), 3.52- 3.66 (m, 2H), 3.72 (s, 3H), 4.28-4.46 (m, 1H), 4.96-5.12 (m, 1H), 7.33-7.41 (m, 2H), 7.79 (d, J=8.29Hz, 2H); MS ES+ m/z 300.3 (M-99) and 344.3 (M-55).

[References]

[1] Bioorganic and Medicinal Chemistry Letters, 2004, vol. 14, # 24, p. 6107 - 6111
[2] Patent: WO2009/137130, 2009, A2. Location in patent: Page/Page column 182
[3] Patent: WO2018/26792, 2018, A1. Location in patent: Page/Page column 68
[4] Patent: US2008/306086, 2008, A1. Location in patent: Page/Page column 5-6; 15-16
[5] Bulletin of the Korean Chemical Society, 2016, vol. 37, # 8, p. 1259 - 1264
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H319
[Precautionary statements ]

P305+P351+P338
[Hazard Codes ]

Xi
[Risk Statements ]

36
[Safety Statements ]

26
[HS Code ]

2933.99.8290
[REACH Registrations]

Active
Spectrum DetailBack Directory
[Spectrum Detail]

N-Boc-trans-4-tosyloxy-L-proline methyl ester(88043-21-4)1HNMR
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