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(S)-N-叔丁氧羰基-2-吡咯烷酮-5-甲酸叔丁酯 | 91229-91-3

(S)-N-叔丁氧羰基-2-吡咯烷酮-5-甲酸叔丁酯
(S)-N-Boc-2-pyrrolidone-5-carboxylic acid t-butyl ester
91229-91-3
C14H23NO5
285.336124658585
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:(S)-N-叔丁氧羰基-2-吡咯烷酮-5-甲酸叔丁酯结构式
354334547
名称和标识符
MDL MFCD03094770
InChIKey INVKHBRFFCQICU-VIFPVBQESA-N
Inchi 1S/C14H23NO5/c1-13(2,3)19-11(17)9-7-8-10(16)15(9)12(18)20-14(4,5)6/h9H,7-8H2,1-6H3/t9-/m0/s1
SMILES C([C@@H]1CCC(=O)N1C(=O)OC(C)(C)C)(=O)OC(C)(C)C
别名信息
- 中文别名 -
  • (S)-N-叔丁氧羰基-2-吡咯烷酮-5-甲酸叔丁酯
  • (S)-N-Boc-2-吡咯烷酮-5-甲酸叔丁酯
  • (S)-N-BOC-吡咯烷酮-5-羧酸叔丁酯
  • Boc-焦谷氨酸叔丁酯
  • N-叔丁氧羰基-L-焦谷氨酸叔丁酯
  • i>-(叔丁氧羰基)-<small>L<
  • small>-焦谷氨酸叔丁酯
  • N-Boc-L-焦谷氨酸叔丁酯
  • (S)-5-氧代吡咯烷-1,2-二羧酸二叔丁酯
- 英文别名 -
  • (S)-Di-tert-butyl 5-oxopyrrolidine-1,2-dicarboxylate
  • tert-Butyl N-(tert-Butoxycarbonyl)-L-pyroglutamate
  • (S)-N-ALPHA-T-BUTYLOXYCARBONYL-PYROGLUTAMIC ACID T-BUTYL ESTER
  • (S)-N-Boc-2-pyrrolidone-5-carboxylic acid t-butyl ester
  • (S)-N-Boc-2-Pyrrolidone-5-carboxylic acid tert-butyl ester
  • Boc-Pyr-OtBu
  • ditert-butyl (2S)-5-oxopyrrolidine-1,2-dicarboxylate
  • (2S)-di-tert-butyl 5-oxopyrrolidine-1,2-dicarboxylate
  • (S)-di-tert-butyl 5-oxopyrrolidine-1,2
  • (S)-N-Boc-pyroglutamic acid tert-butyl ester
  • (S)-tert-butyl-N-tert-butyloxycarbonylpyroglutamic acid
  • <i>N<
  • tert-butyl (2S)-(1-tert-butoxycarbonyl)-5-oxo-pyrrolidine-2-carboxylate
  • N-Boc-L-pyroglutamic Acid tert-Butyl Ester
  • N-(tert-Butoxycarbonyl)-L-pyroglutamic Acid tert-Butyl Ester
  • tert-Butyl N-Boc-L-pyroglutamate
  • Di-tert-butyl (S)-5-Oxopyrrolidine-1,2-dicarboxylate
  • (S)-5-Oxopyrrolidine-1,2-dicarboxylate Di-tert-butyl Ester
  • 1,2-Bis(1,1-dimethylethyl) (2S)-5-oxo-1,2-pyrrolidinedicarboxylate (ACI)
  • 1,2-Pyrrolidinedicarboxylic acid, 5-oxo-, bis(1,1-dimethylethyl) ester, (2S)- (9CI)
  • 1,2-Pyrrolidinedicarboxylic acid, 5-oxo-, bis(1,1-dimethylethyl) ester, (S)- (ZCI)
  • (2S)-1-(tert-Butoxycarbonyl)-5-oxopyrrolidine-2-carboxylic acid tert-butyl ester
  • Di-tert-butyl (S)-5-oxopyrrolidine-1,2-dicarboxylate
  • N-tert-Butoxycarbonylpyroglutamic acid tert-butyl ester
  • tert-Butyl N-(tert-butoxycarbonyl)pyroglutamate
物化性质
实验特性
LogP 2.19210
PSA 72.91000
折射率 1.485
沸点 390.7±35.0 °C at 760 mmHg
熔点 55.0 to 59.0 deg-C
闪点 190.1±25.9 °C
颜色与性状 Pale-yellow to Yellow-brown Solid
比旋光度 -33.8°--34.2° (c = 0.9, CHCl3)
密度 1.102
计算特性
精确分子量 285.15800
氢键供体数量 0
氢键受体数量 6
可旋转化学键数量 6
重原子数量 20
海关数据
海关编码 2933790090
海关数据

中国海关编码:

2933790090

概述:

2933790090 其他内酰胺. 增值税率:17.0% 退税率:9.0% 监管条件:无 最惠国关税:9.0% 普通关税:20.0%

申报要素:

品名, 成分含量, 用途, 乌洛托品请注明外观, 6-己内酰胺请注明外观, 签约日期

Summary:

2933790090. other lactams. VAT:17.0%. Tax rebate rate:9.0%. . MFN tariff:9.0%. General tariff:20.0%

合成路线

合成路线:1 步

反应条件:
参考文献:
Amino acid synthesis using (L)-pyroglutamic acid as a chiral starting material
Baldwin, Jack E.; et al, Tetrahedron, 1989, 45(23), 7459-68

合成路线:1 步

反应条件:
参考文献:
Hetero-Diels-Alder and pyroglutamate approaches to (2S,4R)-2-methylamino-5-hydroxy-4-methylpentanoic acid
Tarver, James E.; et al, Tetrahedron, 2004, 60(45), 10277-10284

合成路线:2 步

反应条件:
参考文献:
Synthesis of alexine-like compounds from chiral five-membered endocyclic enecarbamates
Valle, Marcelo Siqueira; et al, Tetrahedron Letters, 2008, 49(12), 1957-1960

合成路线:2 步

反应条件:
参考文献:
A novel synthesis of L-pyroglutamic acid derivatives from L-proline: utility of N-protecting groups for ruthenium tetroxide oxidation of cyclic α-amino acids
Yoshifuji, Shigeyuki; et al, Chemical & Pharmaceutical Bulletin, 1986, 34(9), 3873-8

合成路线:1 步

反应条件:
参考文献:
A novel synthesis of L-pyroglutamic acid derivatives from L-proline: utility of N-protecting groups for ruthenium tetroxide oxidation of cyclic α-amino acids
Yoshifuji, Shigeyuki; et al, Chemical & Pharmaceutical Bulletin, 1986, 34(9), 3873-8

合成路线:1 步

参考文献:
Stereospecific synthesis of (2S,4R)-[5,5,5-2H3]leucine
August, Ryan A.; et al, Journal of the Chemical Society, 1996, (6), 507-14

合成路线:2 步

反应条件:
参考文献:
Crotonase Catalysis Enables Flexible Production of Functionalized Prolines and Carbapenams
Hamed, Refaat B.; et al, Journal of the American Chemical Society, 2012, 134(1), 471-479

合成路线:1 步

反应条件:
参考文献:
Synthesis of alexine-like compounds from chiral five-membered endocyclic enecarbamates
Valle, Marcelo Siqueira; et al, Tetrahedron Letters, 2008, 49(12), 1957-1960

合成路线:1 步

反应条件:
参考文献:
A unified strategy targeting the thiodiketopiperazine mycotoxins exserohilone, gliotoxin, the epicoccins, the epicorazines, rostratin A and aranotin
Gross, Ulrike; et al, Chemistry - A European Journal, 2010, 16(38), 11624-11631

合成路线:1 步

反应条件:
参考文献:
Stereoselective synthesis of the epicoccin core
Gross, Ulrike; et al, Organic Letters, 2009, 11(20), 4740-4742

合成路线:1 步

反应条件:
参考文献:
A new synthetic equivalent of the glutamic acid γ-anion and its application to the synthesis of S-(+)-γ-carboxyglutamic acid
Attwood, Michael R.; et al, Tetrahedron Letters, 1990, 31(2), 283-4

合成路线:1 步

参考文献:
Synthesis of 1,2-Dithiolane Analogues of Leucine for Potential Use in Peptide Chemistry
Morera, Enrico; et al, Organic Letters, 2002, 4(7), 1139-1142

合成路线:1 步

反应条件:
参考文献:
Synthesis of alexine-like compounds from chiral five-membered endocyclic enecarbamates
Valle, Marcelo Siqueira; et al, Tetrahedron Letters, 2008, 49(12), 1957-1960

合成路线:1 步

反应条件:
参考文献:
Reductive decarboxylation of bicyclic prolinic systems. A new approach to the enantioselective synthesis of the Geissman-Waiss lactone. X-ray structure determination of a key lactone intermediate
Ambrosio, Joao Carlos L.; et al, Journal of the Brazilian Chemical Society, 2003, 14(1), 27-38

合成路线:1 步

反应条件:
参考文献:
A novel post SPPS thioesterification
Nagaike, Fumihiro; et al, Peptide Science, 2006, 42, 165-168

合成路线:1 步

反应条件:
参考文献:
Discovery of a novel class of potent and orally bioavailable sphingosine 1-phosphate receptor 1 antagonists
Ibrahim, Mohamed A.; et al, Journal of Medicinal Chemistry, 2012, 55(3), 1368-1381

合成路线:1 步

反应条件:
参考文献:
The oxidation of alcohols by modified oxochromium(VI)-amine reagents
Luzzio, Frederick A., Organic Reactions (Hoboken, 1998, 53,

合成路线:1 步

反应条件:
参考文献:
Asymmetric synthesis of 2-azabicyclo[3.1.0]hexane-3-carboxylic acid
Fu, Xinghua; et al, Youji Huaxue, 2014, 34(8), 1616-1622
专业数据库参考
PubChemId 354334547
参考资料
Reaxys RN 3558214
Beilstein T161881
化合物详情(旧版)

SMILES

CC(C)(C)OC(=O)[C@H]1N(C(=O)OC(C)(C)C)C(=O)CC1

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