2-(2-Propen-1-yl)-1,3-propanediol

CAS: 42201-43-4

Ref. TR-P768985

Informação sobre produto

• Nome: 2-(2-Propen-1-yl)-1,3-propanediol
• Sinónimos: 2-(2-Propenyl)-1,3-propanediol, 2-Allyl-1,3-dihydroxypropane, 2-Allyl-1,3-propanediol

Descrição

Applications 2-(2-Propen-1-yl)-1,3-propanediol is an intermediate in synthesizing 6,6'-Dihydroxypregabalin Lactam (D454645), an impurity of rac-Pregabalin (P704800), a GABA analogue used as an anticonvulsant.Controlled substance in the United States.Not controlled in Germany
References Taylor, C.P., at al.: Epilepsy Res., 14, 11 (1993); Field, M.J., et al.: Pain, 80, 391 (1999)

• Marca: TRC

Propriedades químicas

• Peso molecular: 729.655
• Fórmula: C₆H₁₂O₂
• Cor/forma: Light Brown Oil
• InChI: InChI=1S/C31H38F3N5O12/c1-5-13(2)25(35-15(4)41)29(49)37-19(8-9-22(42)43)27(47)39-26(14(3)40)30(50)38-20(12-23(44)45)28(48)36-16-6-7-17-18(31(32,33)34)11-24(46)51-21(17)10-16/h6-7,10-11,13-14,19-20,25-26,40H,5,8-9,12H2,1-4H3,(H,35,41)(H,36,48)(H,37,49)(H,38,50)(H,39,47)(H,42,43)(H,44,45)/t13-,14+,19-,20-,25-,26-/m0/s1
• Chave InChI: InChIKey=CGUOWXRXLQXOKO-FCQBACSVSA-N
• SMILES: CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)Nc1ccc2c(C(F)(F)F)cc(=O)oc2c1)[C@@H](C)O