tert-Butyl bromoacetate 溴乙酸叔丁酯
CAS 5292-43-3 MFCD00000188
化学结构图
SMILES: CC(C)(C)OC(=O)CBr
化学属性
| Mol. Formula | C6H11BrO2 |
|---|---|
| Mol. Weight | 195 |
| Boiling Point | 50 |
| TSCA | T |
| Refractive index | 1.4440 to 1.4460 |
| Density | 1.321 |
| Flash Point | 49°C(lit.) |
| Solubility | 不溶于水，溶于乙醇、乙醚等多数有机溶剂。 |
| Stability | 催泪 |
别名和识别编码
| Chemical Name | tert-Butyl bromoacetate |
|---|---|
| CAS Number | 5292-43-3 |
| Alfabeta Name | BUTYLBROMOACETATE TERT- |
| MDL Number | MFCD00000188 |
| PubChem Substance ID | 87564388 |
| EC Number | 226-133-6 |
| Beilstein Registry Number | 1753010 |
| Reaxys-RN | 1753010 |
| Synonym | 1-Butylbromoacetate 2-BROMOACETIC ACID-TERT-BUTYL ESTER 2-Bromoacetic acid-t-butylester tert-Butylbromacetat Acetic acid, bromo-, tert-butyl ester BUTYLBROMOACETATE-TERT Bromessigsäure-tert-butylester Bromoacetic acid tert-butyl ester T-BUTYL 2-BROMOACETATE T-BUTYL BROMOACETATE TERT-BUTYL BROMOACETATE aceticacid,bromo-,1,1-dimethylethylester bromoacetic acid tert-butyl ester bromoacetic acid T-butyl ester t-butyl bromoacetate tert-Butyl bromoacetate, 99 % tert-Butylbromoacetate,98% |
| Chemical Name Translation | 溴乙酸叔丁酯 |
| InChIKey | BNWCETAHAJSBFG-UHFFFAOYSA-N |
| LabNetwork Molecule ID | LN00223773 |
| InChI | InChI=1S/C6H11BrO2/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
- 常规烷基化试剂，用于合成胶原酶抑制剂(S,S,R)-(-)-actinonin；乙酸叔丁酯中间体等等。
相关文献及参考
- In the Reformatsky synthesis of ß-hydroxy acids, competing ß-elimination and retro-aldol type cleavage are minimized by the use of the t-butyl ester, and heating the reaction mixture in dry benzene leads directly to the hydroxy acid, avoiding the need for a separate hydrolysis step: Chem. Commun., 679 (1969); J. Chem. Soc. (C), 2799 (1969). For a review of advances in the Reformatsky reaction, see: Synthesis, 571 (1989). Addition of the same organozinc reagent to nitriles gives amino acrylates, which can be hydrolyzed to ß-keto-esters (Blaise reaction). For extension of this reaction to hindered nitriles, see: J. Org. Chem., 48, 3833 (1983).
- Beilstein:2(3)482
- Short: III/35E
- 3. Angew. Chem. Int. Ed. Engl. 45 , 6349, (2006)
安全信息
GHS Symbol
- H226 Flammable liquid and vapour 易燃液体和蒸气
- H315 Causes skin irritation 会刺激皮肤
- H319 Causes serious eye irritation 严重刺激眼睛
- H335 May cause respiratory irritation 可能导致呼吸道刺激
- 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。
- P233 Keep container tightly closed. ?保持容器密闭。
- P240 Ground/bond container and receiving equipment. 与地面接触/连接集装箱和接受设备。
- P241+P242+P243
- P260 Do not breathe dust/fume/gas/mist/vapours/spray. 不要吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
- 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。
- 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。
- P301+P330+P331+P310
- P303+P361+P353
- P303+P361+P353+P310+P363
- P304+P340+P310
- P305+P351+P338
- P305+P351+P338+P310
- P403+P235
- P405 Store locked up. 上锁保管。
- P501 Dispose of contents/container to..… 处理内容物/容器.....
- S16 Keep away from sources of ignition - No smoking 远离火源，禁止吸烟；
- S20 When using do not eat or drink 使用时，不得进食，饮水；
- S23 Do not breathe gas/fumes/vapour/spray (appropriate wording to be specified by the manufacturer) 不要吸入气体/烟雾/蒸汽/喷雾；
- S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触；
- 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；
- S36/37/39 Wear suitable protective clothing, gloves and eye/face protection 穿戴适当的防护服、手套和眼睛/面保护；
- S45 In case of accident or if you feel unwell seek medical advice immediately (show the label where possible) 发生事故时或感觉不适时，立即求医（可能时出示标签）；
- S60 This material and its container must be disposed of as hazardous waste 该物质及其容器必须作为危险废物处置；
- R10 Flammable 易燃
- R22 Harmful if swallowed 吞咽有害
- R34 Causes burns 会导致灼伤
- R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
其他信息
- F:19
- 溴乙酸叔丁酯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/08/23 xw010390 溴乙酸叔丁酯 100ml 198元 2011/04/16 B1473 溴乙酸叔丁酯 tert-Butyl Bromoacetate 250G 3550元 2011/04/16 B1473 溴乙酸叔丁酯 tert-Butyl Bromoacetate 25G 650元
- 用途一:用作医药中间体，用于合成氨基酸和肽类化合物
- 海关编码:29159080
- Acros Organics:溴乙酸叔丁酯 tert-Butyl bromoacetate, 99%(5292-43-3)
- MOL 文件:5292-43-3.mol
- TSCA:T
- 下游产品:叔丁基-2-(N-(3-甲基苯基)-N-甲基氨基)醋酸盐 --> 3,4-二氟肉桂酸 --> 吗啉-4-基乙酸
- 不溶于水。
- 用途二:常规烷基化试剂，用于合成胶原酶抑制剂(S,S,R)-(-)-actinonin；乙酸叔丁酯中间体等等。
- Hazard Note:Irritant/Flammable/Lachrymatory
- Sigma Aldrich:5292-43-3(sigmaaldrich)
- TCI Shanghai:溴乙酸叔丁酯 tert-Butyl Bromoacetate,>;98.0%(GC)(5292-43-3)
- 图谱信息:溴乙酸叔丁酯(5292-43-3)质谱(MS) 溴乙酸叔丁酯(5292-43-3)核磁图( 13 CNMR) 溴乙酸叔丁酯(5292-43-3)核磁图( 1 HNMR) 溴乙酸叔丁酯(5292-43-3)红外图谱(IR1)
- MSDS 信息:溴乙酸叔丁酯(5292-43-3).msds
- 外观性质:液体。
- 检测方法:GC,NMR
- Alfa Aesar:溴乙酸叔丁酯,98% tert-Butyl bromoacetate, 98%(5292-43-3)
- 敏感性:Lachrymatory
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