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221142-28-5

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221142-28-5 Structure

221142-28-5 Structure
IdentificationBack Directory
[Name]

1-[(TERT-BUTYL)OXYCARBONYL]-4-PHENYLPYRROLINE-3-CARBOXYLIC ACID
[CAS]

221142-28-5
[Synonyms]

Boc-trans-DL-b-Pro-4-(phenyl)-OH
Boc-trans-DL-beta-Pro-4-(phenyl)-OH
Boc-(3R,4S)-trans-4-Phenyl-beta-proline
trans-1-Boc-4-phenyl-3-pyrrolidinecarboxylic acid
4-PHENYL-PYRROLIDINE-1,3-DICARBOXYLIC ACID 1-TERT-BUTYL ESTER
1-[(TERT-BUTYL)OXYCARBONYL]-4-PHENYLPYRROLINE-3-CARBOXYLIC ACID
trans-N-(tert-Butoxycarbonyl)-4-phenylpyrrolidine-3-carboxylic acid
trans-1-(tert-Butoxycarbonyl)-4-phenylpyrrolidine-3-carboxylic acid
(±)-trans-1-(t-Butoxycarbonyl)-4-phenylpyrrolidine-3-carboxylic acid
1-[(tert-Butyl)oxycarbonyl]-4-phenylpyrrolidine-3-carboxylic acid 98%
(Tert-Butoxy)Carbonyl (±)-trans-4-Phenyl-pyrrolidine-3-carboxylic acid
rel-(3R,4S)-1-(tert-Butoxycarbonyl)-4-phenylpyrrolidine-3-carboxylic acid
Trans (+/-) 1-[(tert-butyl)oxycarbonyl]-4-phenylpyrrolidine-3-carboxylic acid
1,3-Pyrrolidinedicarboxylic acid, 4-phenyl-, 1-(1,1-dimethylethyl) ester, (3R,4S)-rel-
[Molecular Formula]

C16H21NO4
[MDL Number]

MFCD02089475
[MOL File]

221142-28-5.mol
[Molecular Weight]

291.34
Chemical PropertiesBack Directory
[Boiling point ]

441.471±45.00 °C(Press: 760.00 Torr)(predicted)
[density ]

1.197±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
[storage temp. ]

2-8°C
[form ]

solid
[pka]

4.313±0.40(predicted)
[Appearance]

White to off-white Solid
[InChI]

InChI=1/C16H21NO4/c1-16(2,3)21-15(20)17-9-12(13(10-17)14(18)19)11-7-5-4-6-8-11/h4-8,12-13H,9-10H2,1-3H3,(H,18,19)/t12-,13+/s3
[InChIKey]

KEWYECRQALNJJM-JNEKIBDFNA-N
[SMILES]

N1(C(OC(C)(C)C)=O)C[C@H](C2=CC=CC=C2)[C@@H](C(O)=O)C1 |&1:9,16,r|
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302
[Precautionary statements ]

P261-P280-P305+P351+P338-P304+P340-P405
[WGK Germany ]

WGK 3
[HS Code ]

29339900
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Aquatic Acute 1
Eye Irrit. 2
Skin Irrit. 2
Skin Sens. 1
Spectrum DetailBack Directory
[Spectrum Detail]

1-[(TERT-BUTYL)OXYCARBONYL]-4-PHENYLPYRROLINE-3-CARBOXYLIC ACID(221142-28-5)1HNMR
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