Tosylmethyl isocyanide
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Tosylmethyl isocyanide 속성
- 녹는점
- 109-113 °C(lit.)
- 밀도
- 1.2721 (rough estimate)
- 굴절률
- 1.5270 (estimate)
- 저장 조건
- 2-8°C
- 용해도
- 물: 약간 용해됨
- 물리적 상태
- 액체
- 색상
- 투명한
- 수용성
- 불용성
- 감도
- Moisture Sensitive
- Merck
- 14,9556
- BRN
- 3592382
- 노출 한도
- NIOSH: IDLH 25 mg/m3
- InChI
- InChI=1S/C9H9NO2S/c1-8-3-5-9(6-4-8)13(11,12)7-10-2/h3-6H,7H2,1H3
- InChIKey
- BBNNLJMGPASZPD-UHFFFAOYSA-N
- SMILES
- S(C1C=CC(C)=CC=1)(=O)(=O)C[N+]#[C-]
- CAS 데이터베이스
- 36635-61-7(CAS DataBase Reference)
안전
- 위험 및 안전 성명
| 위험품 표기 | T,Xi | ||
|---|---|---|---|
| 위험 카페고리 넘버 | 23/24/25 | ||
| 안전지침서 | 36/37-45-38-36/37/39-28A | ||
| 유엔번호(UN No.) | UN 2811 6.1/PG 3 | ||
| WGK 독일 | 3 | ||
| F 고인화성물질 | 21 | ||
| 위험 참고 사항 | Irritant | ||
| 위험 등급 | 6.1(b) | ||
| 포장분류 | III | ||
| HS 번호 | 29299000 |
Tosylmethyl isocyanide C화학적 특성, 용도, 생산
개요
Tosylmethyl isocyanide is a versatile synthon in organic chemistry, widely used as a reagent for the preparation of biologically active pyrroles and imidazoles. Tosylmethyl isocyanide undergoes a base-promoted 1,3-dipolar cycloaddition reaction with immobilised imines under microwave irradiation to give 1,5-disubstituted imidazoles.화학적 성질
Pale yellow to light brown crystalline powder용도
Tosylmethyl Isocyanide is used as a synthetic reagent in the preparation of variety or biologically active heterocycles such as pyrroles and imidazoles. Tosylmethyl Isocyanide is reported to inhibit [ Fe]-hydrogenase with very high affinity.정의
Tosylmethyl isocyanide is a chemical compound of cyanide that Versatile synthon in organic chemistry, especially in the synthesis of heterocyclic Compounds.제조 방법
N-(p-Tolylsulfonylmethyl)formamide 1609:
A 3-L, three-necked, round-bottomed flask, equipped with a mechanical stirrer, a condenser, and a thermometer, was charged with sodium p-toluenesulfinate 1606 (267 g, 1.5 mol). After the addition of water (750 mL), a 34–37% solution of formaldehyde 1607 (350 mL, 378 g, ca. 4.4 mol), formamide 1608 (600 mL, 680 g, 15 mol), and formic acid (200 mL, 244 g, 5.3 mol), the stirred reaction mixture was heated at 90 C°. The sodium p-toluenesulfinate dissolved during the heating, and the clear solution was kept at 90–95 C° for 2 h. It was then cooled in an ice/salt bath with continued stirring and further cooled overnight in a freezer at 20 C°. The white solid produced was collected by suction filtration. It was washed thoroughly in a beaker by stirring with three 250 mL portions of iced water. The product was dried under reduced pressure over phosphorus pentoxide at 70 C° to provide 134–150 g (42–47%) of crude N-(p-tolylsulfonylmethyl)formamide 1609; mp 106–110 C°. This product was sufficiently pure to be used directly in the following reaction.
Purification Methods
Use an efficient fume cupboard. Purify TOSMIC by dissolving (50g) in CH2Cl2 (150mL) and passing it through a column (40x3cm) containing neutral alumina (100g) in CH2Cl2 and eluting with CH2Cl2. A nearly colourless solution (700mL) is collected, evaporated in vacuo and the residue (42-47g) of TOSMIC (m 113-114o dec) is recrystallised once from MeOH (m 116-117o dec). [Hoogenboom et al. Org Synth 57 102 1977, Lensen Tetrahedron Lett 2367 1972.] It also crystallises from EtOH (charcoal) [Saito & Itano, J Chem Soc, Perkin Trans 1 1 1986].Tosylmethyl isocyanide 준비 용품 및 원자재
원자재
준비 용품
METHYL-2-CHLOROOXAZOLE-5-CARBOXYLATE
Dihydrocaffeic acid
1-CYCLOHEXYL-1-TOSYLMETHYL ISOCYANIDE
α-Tosyl-(3,4-dimethoxybenzyl)isocyanide
Benzene, 1-[(isocyanatomethyl)sulfonyl]-4-methyl-
4-[4-(1-METHYLETHYL)PHENYL]-1H-PYRROLE-3-CARBOXYLIC ACID ETHYL ESTER
N-(1-Cyano-2,3-dihydro-1H-inden-5-yl)acetaMide
3-(2,4-dichlorophenyl)-4-(4-methylbenzoyl)-1H-pyrrole
1,4-Diphenyl-1H-pyrrole-3-carbonitrile
4-(4-METHYLPHENYL)-1H-PYRROLE-3-CARBOXYLICACIDMETHYLESTER
1H-IMidazole, 1-[(4-Methoxyphenyl)Methyl]-5-phenyl-
(4-CHLOROPHENYL)(4-PHENYL-1H-PYRROL-3-YL)METHANONE
[4-(4-BROMOPHENYL)-1H-PYRROL-3-YL](PHENYL)METHANONE
5-(2-fluorophenyl)oxazole
Tosylmethyl isocyanide 공급 업체
글로벌( 562)공급 업체
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