1,1-Dimethyl-d6-2,3-bis(tert-butyloxycarbonyl)guanidine

CAS : 215170-99-3

Ref. TR-D461597

Informations sur le produit

• Nom: 1,1-Dimethyl-d6-2,3-bis(tert-butyloxycarbonyl)guanidine
• Synonymes: [(Dimethyl-d6-amino)[[(1,1-dimethylethoxy)carbonyl]amino]methylene]carbamic Acid 1,1-Dimethylethyl Ester

Description

Applications 1,1-Dimethyl-d6-2,3-bis(tert-butyloxycarbonyl)guanidine is an intermediate formed in the synthesis of 5-[[(Dimethylamino)iminomethyl]amino]-2-oxopentanoic Acid-d6 (D471017), a labeled metabolite of asymmetric dimethylarginine.
References Martens-Lobenhoffer, J. et al.: Anal Biochem., 419, 234 (2011)

• Marque: TRC

Propriétés chimiques

• Masse moléculaire: 2356.992
• Formule: C₇₀H₉₁O₇₀S₇·C₅H₆N
• Couleur/Forme: Neat
• InChI: InChI=1S/C70H98O70S7.C5H5N/c1-22(71)113-50-43-36(15-106-141(85,86)87)127-64(57(50)120-29(8)78)135-44-37(16-107-142(88,89)90)129-66(59(122-31(10)80)51(44)114-23(2)72)137-46-39(18-109-144(94,95)96)131-68(61(124-33(12)82)53(46)116-25(4)74)139-48-41(20-111-146(100,101)102)133-70(63(126-35(14)84)55(48)118-27(6)76)140-49-42(21-112-147(103,104)105)132-69(62(125-34(13)83)56(49)119-28(7)77)138-47-40(19-110-145(97,98)99)130-67(60(123-32(11)81)54(47)117-26(5)75)136-45-38(17-108-143(91,92)93)128-65(134-43)58(121-30(9)79)52(45)115-24(3)73;1-2-4-6-5-3-1/h36-70H,15-21H2,1-14H3,(H,85,86,87)(H,88,89,90)(H,91,92,93)(H,94,95,96)(H,97,98,99)(H,100,101,102)(H,103,104,105);1-5H/p-6/t36?,37?,38?,39?,40?,41?,42?,43-,44-,45-,46-,47-,48-,49-,50?,51?,52?,53?,54?,55?,56?,57?,58?,59?,60?,61?,62?,63?,64-,65-,66-,67-,68-,69-,70-;/m0./s1
• SMILES: CC(=O)OC1C(OC(C)=O)[C@H]2O[C@@H]3OC(COS(=O)(=O)[O-])[C@H](O[C@@H]4OC(COS(=O)(=O)[O-])[C@H](O[C@@H]5OC(COS(=O)(=O)[O-])[C@H](O[C@@H]6OC(COS(=O)(=O)[O-])[C@H](O[C@@H]7OC(COS(=O)(=O)[O-])[C@H](O[C@@H]8OC(COS(=O)(=O)[O-])[C@H](O[C@@H]1OC2COS(=O)(=O)[O-])C(OC(C)=O)C8OC(C)=O)C(OC(C)=O)C7OC(C)=O)C(OC(C)=O)C6OC(C)=O)C(OC(C)=O)C5OC(C)=O)C(OC(C)=O)C4OC(C)=O)C(OC(C)=O)C3OC(C)=O.c1cc[nH+]cc1