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CAS RN: 36635-61-7 | 제품번호: T1046
p-Toluenesulfonylmethyl Isocyanide
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순도/분석 방법: >98.0%(HPLC)(N)
동의어의:
- TosMIC
- Tosylmethyl Isocyanide
제품문서:
•본 제품의 재고는 일본 본사의 재고입니다. 주문시, 5일안에 실험실까지 도착됩니다.
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•보관 조건은 예고없이 변경 될 수 있습니다. 제품 보관 조건의 최신 자료는 홈페이지에 기재되어 있으니 양해 부탁드립니다.
•본건의 원가격은 한국 대리점의 예상 판매가격입니다.자세한 정보가 필요하시면 연락해 주십시오.( SEJIN CI Co., Ltd. (한국총대리점) 전화 : 02-2655-2480 이메일 : sales@sejinci.co.kr)
•보관 조건은 예고없이 변경 될 수 있습니다. 제품 보관 조건의 최신 자료는 홈페이지에 기재되어 있으니 양해 부탁드립니다.
| 제품번호 | T1046 |
Purity/Analysis Method 
|
>98.0%(HPLC)(N) |
| M.F. / M.W. | C__9H__9NO__2S = 195.24 |
| 물리적 상태 (20 ℃) | Solid |
| 보관 조건
|
Room Temperature (Recommended in a cool and dark place, <15°C) |
| 불활성 가스 하에서 보관 | Store under inert gas |
| 피해야 할 조건 | Moisture Sensitive |
| CAS RN | 36635-61-7 |
| Reaxys-RN | 2331606 |
| PubChem Substance ID | 87576847 |
| SDBS | 15758 |
| Merck Index (14) | 9556 |
| MDL 번호 | MFCD00000005 |
규격표
| Appearance | White to Yellow to Orange powder to crystal |
| Purity(HPLC) | min. 98.0 area% |
| Purity(with Total Nitrogen) | min. 98.0 % |
물성치(참고치)
| mp | 110 °C |
GHS
| 픽토그램 |
|
| 신호 워드 | Danger |
| 위험물 및 유해 등록 | H301 + H311 + H331 : Toxic if swallowed, in contact with skin or if inhaled. H315 : Causes skin irritation. H319 : Causes serious eye irritation. |
| 주의 사항 | P501 : Dispose of contents/ container to an approved waste disposal plant. P261 : Avoid breathing dust. P270 : Do not eat, drink or smoke when using this product. P271 : Use only outdoors or in a well-ventilated area. P264 : Wash skin thoroughly after handling. P280 : Wear protective gloves/ protective clothing/ eye protection/ face protection. P337 + P313 : If eye irritation persists: Get medical advice/ attention. P305 + P351 + P338 : IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. P361 + P364 : Take off immediately all contaminated clothing and wash it before reuse. P332 + P313 : If skin irritation occurs: Get medical advice/ attention. P301 + P310 + P330 : IF SWALLOWED: Immediately call a POISON CENTER/doctor. Rinse mouth. P302 + P352 + P312 : IF ON SKIN: Wash with plenty of water.Call a POISON CENTER/doctor if you feel unwell. P304 + P340 + P311 : IF INHALED: Remove person to fresh air and keep comfortable for breathing. Call a POISON CENTER/doctor. P403 + P233 : Store in a well-ventilated place. Keep container tightly closed. P405 : Store locked up. |
법규 정보
운송 정보
| UN 번호 | UN2811 |
| 등급 | 6.1 |
| 포장 그룹 | III |
| HS 번호* | 2930.90-900 |
Application
TCI Practical Example: Introduction of Cyano Group with Homologation Using TosMIC
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Used Chemicals
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- p-Toluenesulfonylmethyl Isocyanide (=TosMIC) [T1046]
- 2-Adamantanone [A0719]
- Potassium tert-Butoxide (= tBuOK) [P1008]
- 2,2-Dimethoxyethane (= DME)
- Ethanol (= EtOH)
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Procedure
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tBuOK (934 mg, 8.32 mmol, 2.5 eq.) was added to a solution of 2-adamantanone (500 mg, 3.33 mmol) and TosMIC (845 mg, 4.33 mmol, 1.3 eq.) in DME/EtOH (10.4 mL/0.8 mL), cooling with a water bath and the mixture was stirred for 30 minutes at room temperature. And then the reaction mixture was stirred for 4 hours at 40 °C. The reaction mixture was filtered and the insoluble was washed with DME. The filtrate was concentrated under reduced pressure to a volume of 2-3 mL, and the residue was charged with neutral alumina (10 g), eluted with a mixture of hexane:dichloromethane = 5:1 (60 mL) and concentrated under reduce pressure to give 2-cyanoadamantane as a white solid (441 mg, 82% yield).
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Experimenter’s Comments
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The reaction mixture was monitored by TLC (ethyl acetate:hexane = 1:10, Rf = 0.6).
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Analytical Data
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2-Cyanoadamantane
1H NMR (270 MHz, CDCl3); δ 2.90 (brs, 1H), 2.18-2.13 (m, 4H), 1.94-1.87 (m, 4H), 1.77-1.72 (m, 6H).
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Lead Reference
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- A Simple One-Step Synthesis of 2-Cyanoadamantane, a Precursor to Adamantane-2-Carboxylic Acid
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Other Reference
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- Discovery and Metabolic Stabilization of Potent and Selective 2-Amino-N-(adamant-2-yl) Acetamide 11β-Hydroxysteroid Dehydrogenase Type 1 Inhibitors
Application
Synthesis of Heterocyclic Compounds using TosMIC (Multicomponent Reactions)
Typical Procedure (Entry 3):
To a stirred solution of o-phenylenediamine (1.0 mmol) in toluene (20 mL), 4-chlorobenzaldehyde (1.0 mmol) is added and stirring is continued for 5 min. Then TosMIC (1.0 mmol) and DABCO (1.2 mmol) are added and the reaction mixture is heated to 80 °C for 4 h. The resulting solution is initially washed with 5% HCl, then with H2O and dried. The solvent is distilled off under reduced pressure to yield the corresponding crude product mixture, which is purified by silica gel chromatography (petroleum ether : EtOAc = 10 : 1) as eluent, to give the desired quinoxaline derivative in 84% yield as yellow crystals.
To a stirred solution of o-phenylenediamine (1.0 mmol) in toluene (20 mL), 4-chlorobenzaldehyde (1.0 mmol) is added and stirring is continued for 5 min. Then TosMIC (1.0 mmol) and DABCO (1.2 mmol) are added and the reaction mixture is heated to 80 °C for 4 h. The resulting solution is initially washed with 5% HCl, then with H2O and dried. The solvent is distilled off under reduced pressure to yield the corresponding crude product mixture, which is purified by silica gel chromatography (petroleum ether : EtOAc = 10 : 1) as eluent, to give the desired quinoxaline derivative in 84% yield as yellow crystals.
References
- Heterocyclizations via TosMIC-Based Multicomponent Reactions: A New Approach to One-Pot Facile Synthesis of Substituted Quinoxaline Derivatives.
PubMed Literature
문서
제품기사
[Product Highlights] p-Toluenesulfonylmethyl Isocyanide Derivatives Effective in the Construction of Heterocyclic Compounds[TCI Practical Example] Introduction of Cyano Group with Homologation Using TosMIC
제품문서 (분석 차트를 제공하지 못할 수도 있으니 양해 바랍니다.)
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규격표
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