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CAS Number: 84348-37-8
(S)-1-(tert-butoxycarbonyl)-4-oxopyrrolidine-2-carboxylic acid

Structure

(S)-1-(tert-butoxycarbonyl)-4-oxopyrrolidine-2-carboxylic acid
Name: (S)-1-(tert-butoxycarbonyl)-4-oxopyrrolidine-2-carboxylic acid
Synonyms:
General Information
Product Number: 84348378

CAS Registry Number: 84348-37-8

Name:

1,​2-​Pyrrolidinedicarboxy​lic acid, 4-​oxo-​, 1-​(1,​1-​dimethylethyl) ester, (2S)​-
1,​2-​Pyrrolidinedicarboxy​lic acid, 4-​oxo-​, 1-​(1,​1-​dimethylethyl) ester, (S)​-; (2S)​-​1-​(tert-​Butoxycarbonyl)​-​4-​oxo-​2-​pyrrolidinecarboxyli​c acid; (2S)​-​1-​(tert-​Butoxycarbonyl)​-​4-​oxo-​2-​pyrrolidinecarboxyli​c acid; (S)​-​1-​(tert-​Butoxycarbonyl)​-​4-​oxopyrrolidine-​2-​carboxylic acid; 1-​(tert-​Butoxycarbonyl)​-​4-​oxo-​L-​proline; N-​Boc-​4-​oxo-​L-​proline; N-​tert-​Butoxycarbonyl-​4-​keto-​L-​proline; N-​tert-​Butoxycarbonyl-​4-​oxo-​L-​proline 

 

Chemical Formula: C10H15NO5
Exact Mass: 229.10
Molecular Weight: 229.23
m/z: 229.10 (100.0%), 230.10 (11.2%), 231.10 (1.6%)
Elemental Analysis: C, 52.40; H, 6.60; N, 6.11; O, 34.90

 

InChI: InChI=1S/C10H15NO5/c1-10(2,3)16-9(15)11-5-6(12)4-7(11)8(13)14/h7H,4-5H2,1-3H3,(H,13,14)/t7-/m0/s1
InChIKey: CKYGSXRXTIKGAJ-ZETCQYMHSA-N
Canonical SMILES : CC(C)(C)OC(=O)N1CC(=O)CC1C(=O)O
Isomeric SMILES: CC(C)(C)OC(=O)N1CC(=O)C[C@H]1C(=O)O

 

Thermal Properties Value Condition Note
Melting Point 159-163 °C Solv: ethyl acetate (141-78-6) (1)CAS

Specification

98%

References
  1. (1) Van der Meijden, Benjamin; ARKIVOC (Gainesville, FL, United States) 2011, (6), P130-136 CAPLUS
  2. (2) Mollica, Adriano; Bioorganic & Medicinal Chemistry 2006, V14(7), P2253-2265 CAPLUS
  3. (3) Torino, Domenica; Bioorganic & Medicinal Chemistry 2009, V17(1), P251-259 CAPLUS
  4. (4) Tamaki, Makoto; Journal of Organic Chemistry 2001, V66(10), P3593-3596 CAPLUS
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