CAS Registry Number: 203866-14-2

Name:

1,​2-​Pyrrolidinedicarboxy​lic acid, 4-​fluoro-​, 1-​(1,​1-​dimethylethyl) ester, (2S,​4R)​-
1,​2-​Pyrrolidinedicarboxy​lic acid, 4-​fluoro-​, 1-​(1,​1-​dimethylethyl) ester, (2S-​trans)​-; (2S,​4R)​-​1-​(tert-​Butoxycarbonyl)​-​4-​fluoropyrrolidine-​2-​carboxylic acid; (2S,​4R)​-​1-​(tert-​Butoxycarbonyl)​-​4-​fluoropyrrolidine-​2-​carboxylicaci; (2S,​4R)​-​1-​tert-​Butoxycarbonyl-​4-​fluoropyrrolidine-​2-​carboxylic acid; (2S,​4R)​-​N-​Boc-​4-​fluoropyrrolidine-​2-​carboxylic acid; 1,​1-​Dimethylethyl (2S,​4R)​-​4-​fluoro-​2-​carboxypyrrolidine-​1-​carboxylate; N-​Boc-​trans-​4-​fluoro-​L-​proline 

Deleted CAS Registry Numbers: 1236362-​93-​8

Chemical Formula: C10H16FNO4
Exact Mass: 233.11
Molecular Weight: 233.24
m/z: 233.11 (100.0%), 234.11 (11.2%), 235.11 (1.4%)
Elemental Analysis: C, 51.50; H, 6.91; F, 8.15; N, 6.01; O, 27.44

InChI: InChI=1S/C10H16FNO4/c1-10(2,3)16-9(15)12-5-6(11)4-7(12)8(13)14/h6-7H,4-5H2,1-3H3,(H,13,14)/t6-,7+/m1/s1
InChIKey: YGWZXQOYEBWUTH-RQJHMYQMSA-N
Canonical SMILES : CC(C)(C)OC(=O)N1CC(CC1C(=O)O)F
Isomeric SMILES: CC(C)(C)OC(=O)N1C[C@@H](C[C@H]1C(=O)O)F

Specification

98%

1. (1) Hodges, Jonathan A.; Journal of the American Chemical Society 2005, V127(45), P15923-15932 CAPLUS
2. (2) Chiba, Jun; Bioorganic & Medicinal Chemistry 2006, V14(8), P2725-2746 CAPLUS
3. (3) Hodges, Jonathan A.; Journal of the American Chemical Society 2003, V125(31), P9262-9263 CAPLUS
4. (4) Staas, Donnette D.; WO 2004032834 A2 2004 CAPLUS