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N-叔-丁氧羰基3,5-二碘酪胺 | 788824-51-1

N-叔-丁氧羰基3,5-二碘酪胺结构式图片|788824-51-1结构式图片
N-叔-丁氧羰基3,5-二碘酪胺
N-tert-Butoxycarbonyl 3,5-Diiodotyramine
788824-51-1
C13H17I2NO3
489.087928533554
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:N-叔-丁氧羰基3,5-二碘酪胺结构式
名称和标识符
InChIKey HGUGDDATVGKWTR-UHFFFAOYSA-N
Inchi 1S/C13H17I2NO3/c1-13(2,3)19-12(18)16-5-4-8-6-9(14)11(17)10(15)7-8/h6-7,17H,4-5H2,1-3H3,(H,16,18)
SMILES O=C(NCCC1C=C(I)C(O)=C(I)C=1)OC(C)(C)C
别名信息
- 中文别名 -
  • (aS,3R)-3-[[(9H-芴-9-基甲氧基)羰基]氨基]-α-(2-甲基丙基)-2-氧代-1-吡咯烷基乙酸
  • N-叔-丁氧羰基3,5-二碘酪胺
- 英文别名 -
  • N-tert-Butoxycarbonyl 3,5-Diiodotyramine
  • 2-(4-Hydroxy-3,5-diiodophenyl)ethyl]carbaMic Acid 1,1-DiMethylethyl Ester
  • N-(tert-Butoxycarbonyl)[2-(3,5-diiodo-4-hydroxyphenyl)ethyl]aMine
  • N-TERT-BUTOXYCARBONYL 3,5-DIIODOTYRAMINE,OFF-WHITE SOLID
  • tert-butyl N-[2-(4-hydroxy-3,5-diiodophenyl)ethyl]carbamate
  • N-t-butoxycarbonyl-3,5-diiodotyramine
  • tert-butyl 4-hydroxy-3,5-diiodophenethylcarbamate
  • 1,1-Dimethylethyl N-[2-(4-hydroxy-3,5-diiodophenyl)ethyl]carbamate (ACI)
  • Carbamic acid, [2-(4-hydroxy-3,5-diiodophenyl)ethyl]-, 1,1-dimethylethyl ester (9CI)
  • N-(tert-Butoxycarbonyl)[2-(3,5-diiodo-4-hydroxyphenyl)ethyl]amine
物化性质
实验特性
LogP 3.87300
PSA 62.05000
计算特性
精确分子量 488.93000
合成路线

合成路线:1 步

反应条件:
参考文献:
Conformational Flexibility and Halogen Bonding in Thyroid Hormones and Their Metabolites
Mondal, Santanu; Mugesh, Govindasamy, Crystal Growth & Design, 2016, 16(10), 5896-5906

合成路线:1 步

反应条件:
参考文献:
Regioselective deiodination of iodothyronamines, endogenous thyroid hormone derivatives, by deiodinase mimics
Mondal, Santanu; Mugesh, Govindasamy, Chemistry - A European Journal, 2014, 20(35), 11120-11128

合成路线:1 步

反应条件:
参考文献:
Biomimetic deiodination of thyroid hormones and iodothyronamines - a structure-activity relationship study
Mondal, Santanu; Mugesh, Govindasamy, Organic & Biomolecular Chemistry, 2016, 14(40), 9490-9500

合成路线:1 步

反应条件:
参考文献:
Anti-parasite activity of novel 3,5-diiodophenethyl-benzamides
Restrepo, Manuel Pastrana ; Surmay, Veronica Surmay; Jaramillo, Elkin Galeano; Restrepo, Sara Robledo, Journal of the Brazilian Chemical Society, 2019, 30(1), 116-123

合成路线:1 步

反应条件:
参考文献:
Trace Amine-Associated Receptor Agonists: Synthesis and Evaluation of Thyronamines and Related Analogues
Hart, Matthew E.; Suchland, Katherine L.; Miyakawa, Motonori; Bunzow, James R.; Grandy, David K.; et al, Journal of Medicinal Chemistry, 2006, 49(3), 1101-1112

合成路线:1 步

反应条件:
参考文献:
Syntheses of thyronamine analogs of thyronine
Hou, Fuhui; Gao, Zhixin; Liu, Minxian; Lu, Jiuan; Xu, Youjun, Zhongguo Yaowu Huaxue Zazhi, 2007, 17(6), 392-394
化合物详情(旧版)

SMILES:O=C(NCCC1=CC(I)=C(O)C(I)=C1)OC(C)(C)C
ExSMILES:488.92891
InChI:
InChIKey:
IUPACName:
分子式:FormulaHtmlC13H17NO3I2

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