2-시아노-6-메톡시벤조티아졸
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2-시아노-6-메톡시벤조티아졸 속성
- 녹는점
- 129-131 °C (lit.)
- 끓는 점
- 334.9±34.0 °C(Predicted)
- 밀도
- 1.2938 (rough estimate)
- 굴절률
- 1.6800 (estimate)
- 저장 조건
- Sealed in dry,Room Temperature
- 용해도
- 클로로포름: 가용성 5%, 투명, 무색에서 희미한 노란색
- 물리적 상태
- 결정성 분말
- 산도 계수 (pKa)
- -1.49±0.10(Predicted)
- 색상
- 황백색에서 밝은 노란색까지
- InChI
- InChI=1S/C9H6N2OS/c1-12-6-2-3-7-8(4-6)13-9(5-10)11-7/h2-4H,1H3
- InChIKey
- DEWDWBYQOFXKIH-UHFFFAOYSA-N
- SMILES
- S1C2=CC(OC)=CC=C2N=C1C#N
- CAS 데이터베이스
- 943-03-3(CAS DataBase Reference)
안전
- 위험 및 안전 성명
- 위험 및 사전주의 사항 (GHS)
위험품 표기 | Xn,Xi | ||
---|---|---|---|
위험 카페고리 넘버 | 20/21/22-36/37/38 | ||
안전지침서 | 26-36-36/37 | ||
유엔번호(UN No.) | 3439 | ||
WGK 독일 | 3 | ||
HS 번호 | 29341000 |
2-시아노-6-메톡시벤조티아졸 C화학적 특성, 용도, 생산
화학적 성질
off-white to light yellow crystalline powder용도
2-Cyano-6-methoxybenzothiazole has been used in the synthesis of:- firefly luciferin via condensation with cysteine
- luciferin β-glycosides, substrates for novel ultrasensitive enzyme assays
Synthesis
Typical routes to 2-cyano-6-methoxybenzothiazole include the classical Rosenmund-von Braun and Sandmeyer reactions. These methods proceed with low atom economy and require toxic reagents such as KCN, NaCN, Zn(CN)2, or TMSCN, which are also challenging to handle in a large-scale synthesis. Shahmoradi et al. introduced a Cu-catalyzed cyanation of 2-iodo-6-methoxybenzothiazole to synthesize 2-cyano-6-methoxybenzothiazole. K4[Fe(CN)6] was applied as a source of cyanide, and CuI in the presence of N, N N′, N′-tetramethylethylenediamine (TMEDA) was used as part of the catalyst system. 2-Amino-6-methoxybenzothiazole as a starting material was synthesized from p-anisidine as shown below and subsequently converted into 2-iodo-6-methoxybenzothiazole using a simple and efficient one-pot sequential diazotization-iodination method. The one-pot cyanation of 2-iodo-6-methoxybenzothiazole to 2-cyano-6-methoxybenzothiazole was achieved using 0.25 mmol of K4[Fe(CN)6], 0.25 mmol of CuI and 3 mmol of TMEDA in acetonitrile at 160°C. In addition, 1 mmol of mystril trimethyl bromide (MTMAB) was used as a phase transfer agent. The presence of a phase-transfer catalyst is essential for a successful cyanation reaction. Under these conditions, 2-cyano-6-methoxybenzothiazole was produced in a 90% yield[1].참고 문헌
[1] Ghasem Shahmoradi, S. Amani. “Synthesis, characterization and computational studies of 2-cyano-6-methoxybenzothiazole as a firefly-luciferin precursor.” Heterocyclic Communications 24 1 (2018): 255–258.2-시아노-6-메톡시벤조티아졸 준비 용품 및 원자재
원자재
시안화 제I구리
싸이오사이안산 나트륨
염화나트륨
아질산 나트륨
P-아니시딘
디에틸에테르
염산
중탄산나트륨(중조)
브롬
디클로로메탄
아세트산(빙초산)
다이메틸 설폭사이드
수산화나트륨
황산마그네슘
석유 에테르
사이안화 칼륨
Carbonocyanidothioicamide, N-(4-methoxyphenyl)-
2-Benzothiazolecarboxylicacid,6-methoxy-,methylester(7CI,8CI,9CI)
준비 용품
2-시아노-6-메톡시벤조티아졸 공급 업체
글로벌( 217)공급 업체
공급자 | 전화 | 이메일 | 국가 | 제품 수 | 이점 |
---|---|---|---|---|---|
Hongxiong | +undefined18915499068 |
Suzhouhongxiong@163.com | China | 120 | 58 |
Shaanxi Dideu Medichem Co. Ltd | +86-29-81148696 +86-15536356810 |
1022@dideu.com | China | 3878 | 58 |
Hebei Mojin Biotechnology Co., Ltd | +86 13288715578 +8613288715578 |
sales@hbmojin.com | China | 12490 | 58 |
Henan Bao Enluo International TradeCo.,LTD | +86-17331933971 +86-17331933971 |
deasea125996@gmail.com | China | 2503 | 58 |
Hebei Zhuanglai Chemical Trading Co.,Ltd | +8613343047651 |
admin@zlchemi.com | China | 3002 | 58 |
Capot Chemical Co.,Ltd. | 571-85586718 +8613336195806 |
sales@capotchem.com | China | 29798 | 60 |
Shanghai Daken Advanced Materials Co.,Ltd | +86-371-66670886 |
info@dakenam.com | China | 18628 | 58 |
Nanjing ChemLin Chemical Industry Co., Ltd. | 025-83697070 |
product@chemlin.com.cn | CHINA | 3012 | 60 |
career henan chemical co | +86-0371-86658258 +8613203830695 |
sales@coreychem.com | China | 29888 | 58 |
Hebei Guanlang Biotechnology Co., Ltd. | +86-19930503282 |
alice@crovellbio.com | China | 8820 | 58 |
2-시아노-6-메톡시벤조티아졸 관련 검색:
디벤조티아질 디설파이드 벤조티아졸 P-아니시딘 2-메르캅토벤조티아졸 메톡시벤질클로라이드 아니스알데히드 2-메톡시 에탄올 아니졸 트리플르오르메톡시벤젠 메틸벤조티아졸
2-METHYL-1,3-BENZOTHIAZOL-6-OL
6-METHOXY-2-METHYLBENZOTHIAZOLE
2-CYANO-6-HYDROXYBENZOTHIAZOLE
6-METHOXY-1,3-BENZOTHIAZOLE
2-Cyanothiazole
6-Benzothiazolol(7CI,8CI,9CI)
2-Methylthiazole
2-Cyano-6-methoxybenzothiazole