94838-58-1 ((4-硝基苄基)氨基甲酸叔丁酯,tert-Butyl 4-nitrobenzylcarbamate)

CAS号:
94838-58-1
中文名称:
(4-硝基苄基)氨基甲酸叔丁酯
英文名称:
tert-Butyl 4-nitrobenzylcarbamate
分子式:
C12H16N2O4
分子量:
252.266443252563

(4-硝基苄基)氨基甲酸叔丁酯(94838-58-1)名称与标识符

名称

中文别名:
(4-硝基苄基)氨基甲酸叔丁酯;N-Boc-4-硝基苯乙胺;
英文别名:
tert-Butyl 4-nitrobenzylcarbamate;TERT-BUTYL (4-NITROBENZYL)CARBAMATE;Carbamic acid,N-[(4-nitrophenyl)methyl]-, 1,1-dimethylethyl ester;tert-butyl N-[(4-nitrophenyl)methyl]carbamate;Carbamic acid, [(4-nitrophenyl)methyl]-, 1,1-dimethylethyl ester (9CI);(4-Nitrobenzyl)carbamic acid tert-butyl ester;4-[(N-tert-Butoxycarbonylamino)methyl]nitrobenzene;4-[(tert-Butoxycarbonylamino)methyl]nitrobenzene;tert-Butyl N-(4-nitrobenzyl)carbamate;tert-butyl 4-nitrobenylcarbamate;DB-266774;F31260;NXHDMOGWVRMCTL-UHFFFAOYSA-N;AC-29657;SY032055;N-Boc-4-nitrobenzylamine;EN300-141790;TERT-BUTYL(4-NITROBENZYL)CARBAMATE;DS-5967;AB49516;4(t-butyloxycarbonylaminomethyl)nitrobenzene;94838-58-1;tert-Butyl4-nitrobenzylcarbamate;(4-nitrobenzyl)carbamic acid t-butyl ester;MFCD09038178;(4-Nitro-benzyl)-carbamic acid tert-butyl ester;CS-0154393;(4-Nitrobenzyl)carbamic acid-tert-butyl ester;p-BocNHCH2C6H4NO2;N-tertiary-butyloxycarbonyl 4-nitrobenzylamine;DTXSID20442509;SCHEMBL372131;N-tertiary-butyloxycarbonyl-4-nitrobenzylamine;AKOS013101184;t-Butyl 4-nitrobenzylcarbamate;

标识符

MDL:
MFCD09038178
InChIKey:
NXHDMOGWVRMCTL-UHFFFAOYSA-N
Inchi:
1S/C12H16N2O4/c1-12(2,3)18-11(15)13-8-9-4-6-10(7-5-9)14(16)17/h4-7H,8H2,1-3H3,(H,13,15)
SMILES:
O=C(NCC1C=CC([N+](=O)[O-])=CC=1)OC(C)(C)C

(4-硝基苄基)氨基甲酸叔丁酯(94838-58-1)物化性质

实验特性

  • LogP : 3.53360
  • PSA : 84.15000
  • 沸点 : 408.8°C at 760 mmHg

计算特性

  • 精确分子量 : 252.11100
  • 氢键供体数量 : 1
  • 氢键受体数量 : 3
  • 可旋转化学键数量 : 6
  • 同位素质量 : 252.11100700g/mol
  • 重原子数量 : 18
  • 复杂度 : 298
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 0
  • 不确定原子立构中心数量 : 0
  • 确定化学键立构中心数量 : 0
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 1
  • 疏水参数计算参考值(XlogP) : 2.3
  • 拓扑分子极性表面积 : 84.2Ų

(4-硝基苄基)氨基甲酸叔丁酯(94838-58-1)安全信息

(4-硝基苄基)氨基甲酸叔丁酯(94838-58-1)海关数据

海关编码:
2924299090
海关数据:

中国海关编码:

2924299090

概述:

2924299090. 其他环酰胺(包括环氨基甲酸酯)(包括其衍生物以及他们的盐). 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:30.0%

申报要素:

品名, 成分含量, 用途, 包装

Summary:

2924299090. other cyclic amides (including cyclic carbamates) and their derivatives; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

(4-硝基苄基)氨基甲酸叔丁酯(94838-58-1)推荐厂家 更多厂家(15)

公司名称手机号/电话联系人QQ微信询单
上海瀚思化工有限公司 18939883912
021-34536277
顾经理 3003949364
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赫澎(上海)生物科技有限公司 13122891558
186-16545970
张硕 3418426269
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金锦乐(湖南)化学有限公司 金锦乐 1226360695
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上海甄准生物科技有限公司 15800340161
021-68920155
李经理 3001010259
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上海吉至生化科技有限公司 18117592386
021-57481218
吉至试剂 3007522982
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上海一基实业有限公司 13311756052
021-60526763 13311756052 13311756131
胡经理 2355265332
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上海一基实业有限公司 13311756131
021-60548336 QQ:2355265332 QQ:2851717387
胡经理 2355265332
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南通敏言生物医药科技有限公司 18662920231
0513-85921823
宋经理 2058837229
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江苏艾康生物医药研发有限公司 18795912720
025-66061636
杨情情 3004779232
询单
上海源叶生物科技有限公司 15026964105
15026964105
汤思磊 2881489226
询单

(4-硝基苄基)氨基甲酸叔丁酯(94838-58-1)合成路线

合成路线:1 步
反应条件:
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Preparation of 3,4-diphenyl-4H-1,2,4-triazole derivatives as inhibitor of HSP90
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A facile synthesis of primary and secondary amines
Lankiewicz, L.; Roj, A.; Szymanska, A.; Wiczk, W., Polish Journal of Chemistry, 2004, 78(8), 1067-1072
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Suh, Young-Ger; Lee, Yong-Sil; Min, Kyung-Hoon; Park, Ok-Hui; Seung, Ho-Sun; et al, Bioorganic & Medicinal Chemistry Letters, 2003, 13(24), 4389-4393
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Oxidative Approach Enables Efficient Access to Cyclic Azobenzenes
Maier, Martin S.; Huell, Katharina; Reynders, Martin; Matsuura, Bryan S.; Leippe, Philipp; et al, Journal of the American Chemical Society, 2019, 141(43), 17295-17304
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反应条件:
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New indolylarylsulfones as highly potent and broad spectrum HIV-1 non-nucleoside reverse transcriptase inhibitors
Famiglini, Valeria; La Regina, Giuseppe; Coluccia, Antonio; Pelliccia, Sveva; Brancale, Andrea; et al, European Journal of Medicinal Chemistry, 2014, 80, 101-111
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Synthesis of N-benzyl- and N-phenyl-2-amino-4,5-dihydrothiazoles and thioureas and evaluation as modulators of the isoforms of nitric oxide synthase
Goodyer, Claire L. M.; Chinje, Edwin C.; Jaffar, Mohammed; Stratford, Ian J.; Threadgill, Michael D., Bioorganic & Medicinal Chemistry, 2003, 11(19), 4189-4206
合成路线:1 步
反应条件:
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A new method for the synthesis of amides from amines: ruthenium tetroxide oxidation of N-protected alkylamines
Tanaka, Kenichi; Yoshifuji, Shigeyuki; Nitta, Yoshihiro, Chemical & Pharmaceutical Bulletin, 1988, 36(8), 3125-9
合成路线:1 步
反应条件:
参考文献:
Synthesis and Suzuki-Miyaura Cross-Coupling Reactions of Potassium Boc-Protected Aminomethyltrifluoroborate with Aryl and Heteroaryl Halides
Molander, Gary A.; Shin, Inji, Organic Letters, 2011, 13(15), 3956-3959
合成路线:1 步
反应条件:
参考文献:
Tricyclic Indole-2-carboxylic Acids: Highly in Vivo Active and Selective Antagonists for the Glycine Binding Site of the NMDA Receptor
Katayama, Seiji; Ae, Nobuyuki; Kodo, Toru; Masumoto, Shuji; Hourai, Shinji; et al, Journal of Medicinal Chemistry, 2003, 46(5), 691-701
合成路线:1 步
反应条件:
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Chemoselective conversion of azides to t-butyl carbamates and amines
Jung, Yeon Joo; Chang, Yu Mi; Lee, Ji Hee; Yoon, Cheol Min, Tetrahedron Letters, 2002, 43(48), 8735-8739
合成路线:1 步
反应条件:
参考文献:
Azobenzene-based chloride transporters with light-controllable activities
Choi, Ye Rin; Kim, Gyu Chan; Jeon, Hae-Geun; Park, Jinhong; Namkung, Wan; et al, Chemical Communications (Cambridge, 2014, 50(97), 15305-15308
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反应条件:
参考文献:
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Harnett, Jeremiah J.; Auguet, Michel; Viossat, Isabelle; Dolo, Christine; Bigg, Dennis; et al, Bioorganic & Medicinal Chemistry Letters, 2002, 12(11), 1439-1442
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反应条件:
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Molander, Gary A.; Shin, Inji, Organic Letters, 2013, 15(10), 2534-2537

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