2-Azacyclooctanone 1-氮杂环辛-2-酮

CAS 673-66-5 MFCD00003271

化学结构图

673-66-5
SMILES: O=C1CCCCCCN1

化学属性

Mol. FormulaC7H13NO
Mol. Weight127.18
Boiling Point148-150°C at 760 mmHg
Melting Point35-38°C
Density1.422
Flash Point>;230 °F

别名和识别编码

Chemical Nameazocan-2-one
Synonym Azocan-2-one {LY} Azocan-2-one {} {LY} Azocan-2-one {} {} {LY} Azocan-2-one {} {} {} {LY} Azocan-2-one {} {} {} {} {LY} Azocan-2-one {} {} {} {} {} {LY} Azocan-2-one {} {} {} {} {} {} {LY} Azocan-2-one {} {} {} {} {} {} {} {LY} Azocan-2-one {} {} {} {} {} {} {} {} {LY} Azocan-2-one {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {LY} Azocan-2-one {} {} {} {} {} {} {} {} {} {} {LY} Azocan-2-one {} {} {} {} {} {} {} {} {} {} {} {LY} Azocan-2-one {} {} {} {} {} {} {} {} {} {} {} {} {LY} Azocan-2-one {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Azocan-2-one {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Azocan-2-one {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Azocan-2-one {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Azocan-2-one {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {
CAS Number673-66-5
PubChem Substance ID12657
EC Number211-611-9
Beilstein Registry Number108987
MDL NumberMFCD00003271
Reaxys-RN108987
Chemical Name Translation1-氮杂环辛-2-酮
Wiswesser Line NotationT8MVTJ
LabNetwork Molecule IDLN00222883
InChIKeyCJYXCQLOZNIMFP-UHFFFAOYSA-N
InChIInChI=1S/C7H13NO/c9-7-5-3-1-2-4-6-8-7/h1-6H2,(H,8,9)
Canonical SMILESO=C1NCCCCCC1
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分类

  • Building Blocks, Carbonyl Compounds, Chemical Synthesis, Lactams, Organic Building Blocks
  • {uni_hamburg} no charge; nitrogen heterocycle; alicycle; large ring; 8ring; amide; lactame; 1fragment
  • {SNA} Building Blocks, Carbonyl Compounds, Chemical Synthesis, Lactams, Organic Building Blocks

相关文献及参考

  • Beil. 21 ,V,6,494
  • FT-IR 1 (1), 793:C / FT-IR 2 (1), 1346:B / FT-NMR 1 (1), 1295:B / IR-Spectra (3), 470:F / IR-Spectra (2), 417:F / NMR-Reference 2 (1), 665:D / RegBook 1 (1), 927:M / Structure Index 1 , 144:D:4
  • Short: III/35B Title: Nuclear Magnetic Resonance (NMR) Data: Chemical Shifts and Coupling Constants for Fluorine-19 and Nitrogen-15 Author: Balasubramanian, M.; Gupta, R.R.; Jain, M.; Perumal, S. Editor: Gupta, R.R.; Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/35B Year: 1998 ISBN: 3-540-63275-1 ISBN: 978-3-540-63275-7 Internet Resource: DOI:10.1007/b55685 RefComment: VII, 242 pages. With CD-ROM. Hardcover Abstract: This volume provides a comprehensive and evaluated compilation of nuclear magnetic resonance data. Chemical shifts and coupling constants of boron-11 and phosphorus-31 (subvol. A), fluorine-19 and nitrogen-15 (subvol. B), hydrogen-1 (subvol. C), and carbon-13 (subvol. D) compounds are tabulated together with the gross- and structure formulas and the most readily available solvents. Due to the large amount of the data merely chemical shifts are presented in the printed versions, and all the data, chemical shifts and coupling constants are provided on CO-ROM's.
  • Short: III/35E Title: Nuclear Magnetic Resonance (NMR) Data: Chemical Shifts for Oxygen-17 Author: Duddeck, H.; Toth, G.; Simon, A. Editor: Gupta, R.R.; Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/35E Year: 2002 Keyword: Alipathic and Aromatic hydrocarbons; Coupling constant j; Nuclear Magnetic Resonance; chemical shifts δ ISBN: 3-540-42501-2 ISBN: 978-3-540-42501-4 Internet Resource: DOI:10.1007/b92953 RefComment: VII, 230 pages. With CD-ROM., Hardcover Abstract: This volume provides a comprehensive and evaluated compilation of nuclear magnetic resonance data. Chemical shifts and coupling constants of boron-11 and phosphorus-31 (subvol. A), fluorine-19 and

安全信息

GHS Symbol
WGK Germany3
Hazard Codes Xn
Hazard statements
  • H302 Harmful if swallowed 吞食有害
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
RTECSCN4810000
Signal word
Precautionary statements
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P270 Do not eat, drink or smoke when using this product. 使用本产品时不要吃东西,喝水或吸烟。
  • P301+P312
  • P301+P312+P330
  • P301+P317
  • P330 Rinse mouth. 漱口
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Safety Statements
Risk Statements
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
  • R22 Harmful if swallowed 吞咽有害
TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Amphibian - frog
DOSE/DURATION           : 250 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   AEXPBL Archiv fuer Experimentelle Pathologie und Pharmakologie.  (Leipzig,
   Ger. Dem. Rep.)  V.1-109, 1873-1925.  For publisher information, see NSAPCC.
    Volume(issue)/page/year: 50,199,1903

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 270 mg/kg
TOXIC EFFECTS :
   Behavioral - convulsions or effect on seizure threshold
   Behavioral - analgesia
REFERENCE :
   JPMSAE Journal of Pharmaceutical Sciences.  (American Pharmaceutical Assoc.,
   2215 Constitution Ave., NW, Washington, DC 20037)  V.50-    1961-
   Volume(issue)/page/year: 60,1058,1971

Storage condition Store at room temperature {LY} Store at room temperature {} {LY} Store at room temperature {} {} {LY} Store at room temperature {} {} {} {LY} Store at room temperature {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

其他信息

  • 下游产品:七甲亚胺
  • TCI Shanghai:氮杂环辛酮 omega-Heptalactam,>;99.0%(GC)(673-66-5)
  • Sigma Aldrich:673-66-5(sigmaaldrich)
  • 方法一:由环庚酮经肟化、重排而得。将硫酸、硫酸羟胺抽入干燥的反应锅内,加热搅拌溶解,在110-120℃缓缓加入环庚酮。加完后保温搅拌1.5h,降温至70-80℃。趁热放料至碎冰中,加氢氧化钠溶液至pH为14。用氯仿萃取,萃取液蒸馏回收氯仿后进行减压蒸馏,收集140℃(2.0kPa)馏分,得庚内酰胺。
  • 用途一:该品为药物胍乙啶的中间体。
  • 氮杂环辛酮价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 H0525 ω-庚内酰胺 omega-Heptalactam 5G 1050元 2014/06/02 H0525 ω-庚内酰胺 omega-Heptalactam 25G 3390元 2010/06/21 105080100 氮杂环辛酮 2-Azacyclooctanone 97% 10 GR 1888元
  • 用途二:该品为药物胍乙啶的中间体
  • Acros Organics:2-氮杂环辛酮 2-Azacyclooctanone, 97%(673-66-5)
  • MOL 文件:673-66-5.mol
  • 图谱信息:氮杂环辛酮(673-66-5)核磁图( 13 CNMR) 氮杂环辛酮(673-66-5)质谱(MS) 氮杂环辛酮(673-66-5)核磁图( 1 HNMR) 氮杂环辛酮(673-66-5)红外图谱(IR1) 氮杂环辛酮(673-66-5)红外图谱(IR3) 氮杂环辛酮(673-66-5)红外图谱(IR2)
  • 上游原料:硫酸羟胺 --> 环庚酮

系列性分类


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