Methyl 5-Nitro-2-Furoate 5-甲基-2-糠酸甲酯

CAS 1874-23-3 MFCD00051956

化学结构图

1874-23-3
SMILES: COC(=O)c1ccc([N+](=O)[O-])o1

化学属性

Mol. FormulaC6H5NO5
Mol. Weight171.11
Melting Point78-82°C
TSCANo
Boiling Point301.06 °C at 760 mmHg

别名和识别编码

Chemical NameMethyl 5-Nitro-2-Furoate
Synonym Methyl 5-nitrofuran-2-carboxylate {LY} Methyl 5-nitrofuran-2-carboxylate {} {LY} Methyl 5-nitrofuran-2-carboxylate {} {} {LY} Methyl 5-nitrofuran-2-carboxylate {} {} {} {LY} Methyl 5-nitrofuran-2-carboxylate {} {} {} {} {LY} Methyl 5-nitrofuran-2-carboxylate {} {} {} {} {} {LY} Methyl 5-nitrofuran-2-carboxylate {} {} {} {} {} {} {LY} Methyl 5-nitrofuran-2-carboxylate {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {LY} Methyl 5-nitrofuran-2-carboxylate {} {} {} {} {} {} {} {} {LY} Methyl 5-nitrofuran-2-carboxylate {} {} {} {} {} {} {} {} {} {LY} Methyl 5-nitrofuran-2-carboxylate {} {} {} {} {} {} {} {} {} {} {LY} Methyl 5-nitrofuran-2-carboxylate {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl 5-nitrofuran-2-carboxylate {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl 5-nitrofuran-2-carboxylate {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl 5-nitrofuran-2-carboxylate {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl 5-
MDL NumberMFCD00051956
PubChem Substance ID94882
CAS Number1874-23-3
EC Number000-000-0
Beilstein Registry Number0165132
Alfabeta NameMETHYLNITROFUROATE 52---
Chemical Name Translation5-甲基-2-糠酸甲酯
Wiswesser Line NotationT5OJ BVO1 ENW
InChIInChI=1S/C6H5NO5/c1-11-6(8)4-2-3-5(12-4)7(9)10/h2-3H,1H3
LabNetwork Molecule IDLN00181958
Canonical SMILESCOC(=O)C1=CC=C(O1)[N+]([O-])=O
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分类

  • {SNA} Building Blocks, C4 to C7, Chemical Synthesis, Furans, Heterocyclic Building Blocks
  • {uni_hamburg} no charge; oxygen heterocycle; aromatic; 5ring; ester; 1fragment

相关文献及参考

  • Short: IV/20C Title: Vapor Pressure and Antoine Coefficients for Nitrogen Containing Organic Compounds Author: Dykyj, J.; Svoboda, J.; Wilhoit, R.C.; Frenkel, M.; Hall, K.R. Editor: Hall, K.R. Source: Landolt-Börnstein, New Series Volume: IV/20C Year: 2001 Keyword: organic compounds; vapor pressure ISBN: 3-540-41060-0 ISBN: 978-3-540-41060-7 Internet Resource: DOI:10.1007/b88812 RefComment: VII, 197 pages
  • Beil. 18 ,287
  • The nitro-group is susceptible to nucleophilic displacement (compare 1,4-Dinitrobenzene, A10293): J. Heterocycl. Chem., 18, 1241 (1981). This has been used as the basis of a synthesis of diaryl ethers involving Diels-Alder addition and decarboxylative aromatization of the adduct: J. Chem. Soc., Perkin 1, 1231 (1990):
  • Undergoes vicarious nucleophilic substitution of hydrogen at the 3-position. For example with chloromethyl phenyl sulfone and base, 2-nitro-3-(phenylsulfonylmethyl)furan is formed in 75% yield: Tetrahedron, 51, 8339 (1995). For analogous example and reaction scheme, see 2-Nitrothiophene, A17464.
  • For a review of vicarious nucleophilic substitution in heterocyclic compounds, see: Synthesis, 103 (1991).
  • The nitro-group is susceptible to nucleophilic displacement (compare 1,4-Dinitrobenzene, A10293): J. Heterocycl. Chem., 18, 1241 (1981). This has been used as the basis of a synthesis of diaryl ethers involving Diels-Alder addition and decarboxylative aromatization of the adduct: J. Chem. Soc., Perkin 1, 1231 (1990):
  • Undergoes vicarious nucleophilic substitution of hydrogen at the 3-position. For example with chloromethyl phenyl sulfone and base, 2-nitro-3-(phenylsulfonylmethyl)furan is formed in 75% yield: Tetrahedron, 51, 8339 (1995). For analogous example and reaction scheme, see 2-Nitrothiophene, A17464.
  • For a review of vicarious nucleophilic substitution in heterocyclic compounds, see: Synthesis, 103 (1991).

安全信息

WGK Germany3
Personal Protective Equipment Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
RTECSLV2013000
Safety Statements
  • S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套;
  • S37/39 Wear suitable gloves and eye/face protection 穿戴适当的手套和眼睛/面保护;
  • S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 眼睛接触后,立即用大量水冲洗并征求医生意见;
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
  • R68 Possible risk of irreversible effects 可能有不可挽回的作用的危险
Warnings IRRITANT
Hazard Codes Xi
TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Salmonella typhimurium
DOSE/DURATION           : 5 ug/plate
REFERENCE :
   CRNGDP Carcinogenesis (London). (Oxford Univ. Press, Pinkhill House,
   Southfield Road, Eynsham, Oxford OX8 1JJ, UK)  V.1-    1980-
   Volume(issue)/page/year: 7,1339,1986

Storage condition 2-8°C {LY} 2-8°C {} {LY} 2-8°C {} {} {LY} 2-8°C {} {} {} {LY} 2-8°C {} {} {} {} {LY} 2-8°C {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {
Hazard statements
  • H302 Harmful if swallowed 吞食有害
  • H312 Harmful in contact with skin 皮肤接触有害
  • H315 Causes skin irritation 会刺激皮肤
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H332 Harmful if inhaled 吸入有害
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
  • H341 Suspected of causing genetic defects 怀疑导致遗传性缺陷
Precautionary statements
  • P203
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P264+P265
  • 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。
  • P271 Use only outdoors or in a well-ventilated area.? 只能在室外或通风良好的地方使用。
  • P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
  • P281 Use personal protective equipment as required. 使用所需的个人防护装备。
  • P301+P317
  • P302+P352
  • P304+P340
  • P305+P351+P338
  • P317
  • P318
  • P319
  • P321 Specific treatment (see … on this label). 具体治疗(见本标签上的)。
  • P330 Rinse mouth. 漱口
  • P332+P317
  • P337+P317
  • P362+P364
  • P403+P233
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....

其他信息

  • 上游原料:盐酸 --> 乙醚 --> 二氯甲烷 --> 硝酸 --> 硫酸钠 --> 乙酐 --> 碳酸氢钠 --> N,N-二异丙基乙胺 --> 2-糠酸甲酯
  • Acros Organics:Methyl 5-nitro-2-furoate, 97%(1874-23-3)
  • 5-硝基-2-糠酸甲酯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2010/06/21 344520250 5-硝基-2-糠酸甲酯 Methyl 5-nitro-2-furoate 97% 25 GR 2418元 2010/06/21 344520050 5-硝基-2-糠酸甲酯 Methyl 5-nitro-2-furoate 97% 5 GR 612元 2010/05/25 A15226 5-甲基-2-糠酸甲酯, 97% Methyl 5-nitro-2-furoate, 97% 5g 630元
  • 图谱信息:5-硝基-2-糠酸甲酯(1874-23-3)红外图谱(IR1) 5-硝基-2-糠酸甲酯(1874-23-3)红外图谱(IR2) 5-硝基-2-糠酸甲酯(1874-23-3)质谱(MS)
  • MOL 文件:1874-23-3.mol
  • Sigma Aldrich:1874-23-3(sigmaaldrich)
  • Alfa Aesar:5-甲基-2-糠酸甲酯,97% Methyl 5-nitro-2-furoate, 97%(1874-23-3)
  • Hazard Note:Irritant

系列性分类


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