Tert-Butyl 2-chloroacetate 氯乙酸叔丁酯

CAS 107-59-5 MFCD00000930

化学结构图

107-59-5
SMILES: CC(C)(C)OC(=O)CCl

化学属性

Mol. FormulaC6H11ClO2
Mol. Weight150.60
Refractive index1.4210 to 1.4250
Boiling Point60°C/15mmHg
Density1.053
Flash Point28°C(lit.)
TSCAYes
Solubility溶于乙醚。

别名和识别编码

Chemical NameTert-Butyl 2-chloroacetate
CAS Number107-59-5
PubChem Substance ID66052
EC Number203-506-1
Beilstein Registry Number2(3)444
MDL NumberMFCD00000930
Reaxys-RN1753006
Merck Number1563
Synonym 3-Amino-1,4-dimethyl-5h-pyrido[4,3-β]indole-13C2,15N Acetate 氯乙酸第三丁酯 aceticacid,chloro-,1,1-dimethylethylester CHLOROACETIC ACID TERT-BUTYL ESTER tert.-Butylchloracetat t-butyl 2-chloroacetate chloro-acetic acid tert-butyl ester 氯乙酸叔丁酯 Chloressigsäure-tert-butylester TERT-BUTYL CHLOROACETATE Chloroacetic acid 1,1-dimethylethyl ester
Chemical Name Translation氯乙酸叔丁酯
LabNetwork Molecule IDLN01306963
InChIInChI=1S/C6H11ClO2/c1-6(2,3)9-5(8)4-7/h4H2,1-3H3
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分类

  • {uni_hamburg} no charge; ester; 1fragment
  • {SNA} Building Blocks, C6 to C7, Carbonyl Compounds, Chemical Synthesis, Esters, Organic Building Blocks
  • Building Blocks, C6 to C7, Carbonyl Compounds, Chemical Synthesis, Esters, Organic Building Blocks

产品应用

  • 用于缩水甘油酸酯的缩合。

相关文献及参考

  • The reaction with imines has also been used in the preparation of aziridines by a nitrogen analogue of the Darzens reaction: J. Chem. Soc., Chem. Commun., 602 (1977).
  • Merck:14,1563 Beilstein:2(3)444
  • Short: III/38B
  • Short: EINECS
  • Merck:14,1563
  • Darzens condensation (see Ethyl­ chloroacetate, A15554) with carbonyl compounds gives t-butyl glycidic esters, which readily undergo decarboxylative elimination to the homologous aldehydes. See, for example: Rec. Trav. Chim., 89, 18 (1970).

安全信息

GHS Symbol
WGK Germany3
Hazard statements
  • H226 Flammable liquid and vapour 易燃液体和蒸气
  • H314 Causes severe skin burns and eye damage 导致严重的皮肤灼伤和眼睛损伤
  • H331 Toxic if inhaled 吸入中毒
  • H312 Harmful in contact with skin 皮肤接触有害
  • H302 Harmful if swallowed 吞食有害
  • H302+H312
Personal Protective Equipment Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Hazard Codes Xn;N 8
RTECSAF8985500
Precautionary statements
  • 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。
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P305+P351+P338
  • P332+P313
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
  • P301+P312+P330
  • P337+P313
  • 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。
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P303+P361+P353
  • P302+P352+P312+P362+P364
  • P240 Ground/bond container and receiving equipment. 与地面接触/连接集装箱和接受设备。
  • P370+P378
  • 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。
  • P310 Immediately call a POISON CENTER or doctor/physician. 立即呼救解毒中心或医生/医师。
  • P403+P235
  • P304+P340+P312
  • P312 Call a POISON CENTER or doctor/physician if you feel unwell. 如果你感觉不适,呼叫解毒中心或医生/医师。
  • P210 Keep away from heat/sparks/open flames/hot surfaces. — No smoking. 远离热源/火花/明火/热的表面。——禁止吸烟。
  • P305+P351+P338+P337+P313
Signal word
Safety Statements
Risk Statements
  • R10 Flammable 易燃
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
  • R20/21/22 Harmful by inhalation, in contact with skin and if swallowed 吸入、皮肤接触和不慎吞咽有害
  • R50/53
  • R34 Causes burns 会导致灼伤
UN Number UN2929 3272
Packing GroupIII
Hazard Class3
Storage condition Flammables area
Warnings 危化品目录(2015)
Restrict 危险品

其他信息

  • MOL 文件:107-59-5.mol
  • 用途一:用作医药、农药、染料中间体
  • Acros Organics:氯乙酸叔丁酯 tert-Butyl chloroacetate, 97%(107-59-5)
  • 图谱信息:氯乙酸叔丁酯(107-59-5)红外图谱(IR1) 氯乙酸叔丁酯(107-59-5)质谱(MS) 氯乙酸叔丁酯(107-59-5)核磁图( 1 HNMR) 氯乙酸叔丁酯(107-59-5)核磁图( 13 CNMR)
  • 海关编码:29154000
  • Sigma Aldrich:107-59-5(sigmaaldrich)
  • 上游原料:氯乙酰氯
  • Alfa Aesar:氯乙酸叔丁酯,98% tert-Butyl chloroacetate, 98%(107-59-5)
  • 外观性质:无色液体。
  • F:19-21
  • TCI Shanghai:氯乙酸叔丁基酯 tert-Butyl Chloroacetate,>;96.0%(GC)(107-59-5)
  • 氯乙酸叔丁酯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 C1267 氯乙酸叔丁酯 tert-Butyl Chloroacetate 25ML 331元 2014/06/02 C1267 氯乙酸叔丁酯 tert-Butyl Chloroacetate 500ML 2820元 2010/06/21 347235000 氯乙酸叔丁酯 tert-Butyl chloroacetate 97% 500 GR 2743元
  • 方法一:将叔丁醇加入氯乙酰氯和N,N-二甲基苯胺的混合物中,温度保持在30℃以下。将反应物倾入水中,洗涤、干燥后进行减压分馏,收集48-49℃(1.46kPa)馏分,得氯乙酸叔丁酯,产率63%。
  • 用途二:用于缩水甘油酸酯的缩合。
  • MSDS 信息:氯醋酸特丁酯(107-59-5).msds

系列性分类


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