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Home >> Chemical Listing >> T >> (3S,4R)-1-(tert-Butoxycarbonyl)-4-(4-fluorophenyl)pyrrolidine-3-carboxylic acid

(3S,4R)-1-(tert-Butoxycarbonyl)-4-(4-fluorophenyl)pyrrolidine-3-carboxylic acid
[CAS# 1002732-10-6]

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Identification
Classification Pharmaceutical intermediate >> Heterocyclic compound intermediate >> Pyrimidine compound >> Carboxylic acid
Name (3S,4R)-1-(tert-Butoxycarbonyl)-4-(4-fluorophenyl)pyrrolidine-3-carboxylic acid
Synonyms Boc-(3S,4R)-beta-Pro-4-(4-fluorophenyl)-OH
Molecular Structure CAS # 1002732-10-6, (3S,4R)-1-(tert-Butoxycarbonyl)-4-(4-fluorophenyl)pyrrolidine-3-carboxylic acid, Boc-(3S,4R)-beta-Pro-4-(4-fluorophenyl)-OH
Molecular Formula C16H20F3NO4
Molecular Weight 309.33
CAS Registry Number 1002732-10-6
SMILES CC(C)(C)OC(=O)N1C[C@H]([C@@H](C1)C(=O)O)C2=CC=C(C=C2)F
Properties
Solubility 22.09 mg/L (25 ºC water)
Density 1.2±0.1 g/cm3, Calc.*
Index of Refraction 1.537, Calc.*
Melting point 159.84 ºC
Boiling Point 439.9±45.0 ºC (760 mmHg), Calc.*, 399.58 ºC
Flash Point 219.9±28.7 ºC, Calc.*
* Calculated using Advanced Chemistry Development (ACD/Labs) Software.
Safety Data
Hazard Symbols symbol   GHS07 Warning    Details
Hazard Statements H302-H315-H319-H335    Details
Precautionary Statements P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501    Details
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