2-Amino-6-Methoxybenzothiazole 2-氨基-6-甲氧基苯并噻唑

CAS 1747-60-0 MFCD00005787

化学结构图

1747-60-0
SMILES: COc1ccc2nc(N)sc2c1

化学属性

Mol. FormulaC8H8N2OS
Mol. Weight180
Density1.422
Melting Point165-167
TSCAYes
Boiling Point240 ºC
Solubility<0.1 G/100 ML AT 21 ºC

别名和识别编码

Chemical Name2-Amino-6-Methoxybenzothiazole
CAS Number1747-60-0
Alfabeta NameMETHOXYBENZOTHIAZOLAMINE 6132-----,
MDL NumberMFCD00005787
Synonym 6-METHOXY-2-AMINO-BENZOTHIAZOLE 6-METHOXY-1,3-BENZOTHIAZOL-2-AMINE 2-Benzothiazolamine, 6-methoxy- 6-Methoxy-2-aminobenzothiazole Benzothiazole, 2-amino-6-methoxy- 2-AMINO-6-METHOXYBENZOTHIAZOLE 2-AMINO-6-METHOXYBENZOTHIAZOLE, TECH. 6-methoxybenzothiazol-2-ylamine 2-Amino-6-Methoxybenzothiazole98% 6-METHOXY-BENZOTHIAZOL-2-YLAMINE 2-BENZOTHIAZOLAMINE, 6-METHOXY- AKOS BBS-00005696 2-氨基-6-甲氧基苯骈噻唑 2-Amino-6-methoxybenzothizole 6-Methoxy-benzothiazol-2-ylamine 6-Methoxy-2-aminobenzothiazole; 6-Methoxy-2-benzothiazolamine 6-METHOXYBENZO[D]THIAZOL-2-AMINE 6-Methoxy-2-benzothiazolamine 2-氨基-6-甲氧基苯并噻唑 2-Amino-6-methoxybenzothiazole ASISCHEM B88987 6-甲氧基-2-苯并噻唑胺 AKOS AUF2099 TIMTEC-BB SBB003746 IFLAB-BB F1386-0390 2-AMINO-6-METHOXYBENZOTHIOPHENE 6-methoxy-2-benzothiazolamin AURORA KA-685 6-METHOXY-1,3-BENZOTHIAZOL-2-YLAMINE 2-amino-6-methoxy-benzothiazol 2-Amino-6-methoxy benzothiazole 6-METHOXY-2-BENZOTHIAZOLAMINE
EC Number217-130-0
Beilstein Registry Number27(2)334
PubChem Substance ID15630
Reaxys-RN131202
Chemical Name Translation2-氨基-6-甲氧基苯并噻唑
Wiswesser Line NotationT56 BN DSJ CZ GO1
LabNetwork Molecule IDLN00175270
InChIInChI=1S/C8H8N2OS/c1-11-5-2-3-6-7(4-5)12-8(9)10-6/h2-4H,1H3,(H2,9,10)
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分类

  • {SNA} Building Blocks, C8 to C9, Chemical Synthesis, Heterocyclic Building Blocks, Thiazoles
  • {uni_hamburg} no charge; sulfur heterocycle; nitrogen heterocycle; carbocycle; aromatic; large ring; fused rings; 5ring; 6ring; 9ring; ether; 1fragment

相关文献及参考

  • Short: III/35D3 Title: Nuclear Magnetic Resonance (NMR) Data: Chemical Shifts for Carbon-13, Part 3: Heterocycles Author: Gupta, R.R.; Jain, M.; Lechner, M.D.; Mikhova, B.M. Editor: Gupta, R.R.; Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/35D3 Year: 2007 Keyword: C-13; NMR; carbon-13; chemical shifts; coupling constants; heterocycles; nuclear magnetic resonance ISBN: 978-3-540-29731-4 ISBN: 3-540-29731-6 Internet Resource: DOI: 10.1007/978-3-540-47067-0 RefComment: VIII, 342 p., 1 illus., Hardcover RefComment: Written for Science and engineers in the fields of physics, chemistry and physical chemistry who inted to use NMR to study the structure and the binding of molecules Abstract: Nuclear Magnetic Resonance (NMR) is based on the fact that certain nuclei exhibit a magnetic moment, orient by a magnetic field, and absorb characteristic frequencies in the radiofrequency part of the spectrum. NMR is now a leading technique and a powerful tool for the investigation of the structure and interaction of molecules. The present Landolt-Börnstein volume III/35 Nuclear Magnetic Resonance (NMR) Data is therefore of major interest to all scientists and engineers who use NMR to study the structure and the binding of molecules. Volume III/35 "NMR-Data" is divided into several subvolumes and parts. Subvolume III/35A contains the nuclei B-11 and P-31, subvolume III/35B contains the nuclei F-19 and N-15, subvolume III/35C contains the nucleus H-1, subvolume III/35D contains the nucleus C-13, subvolume III/35E contains the nucleus O-17, and subvolume III/35G contains the nucleus Se-77. More nuclei are planned for future volumes.
  • Short: EINECS Title: EINECS (European Inventory of Existing Commercial Chemical Substances) Source: Official Journal of the European Communities Volume: C 146 A (15.06.1990) Page: 1 Year: 1990 Internet Resource: http://ecb.jrc.ec.europa.eu/esis/index.php?PGM=ein Publish_Date: 1990/06/15

安全信息

Warnings IRRITANT
Signal word Warning
GHS Symbol
WGK Germany3
Safety Statements
  • 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;
Risk Statements
  • R22 Harmful if swallowed 吞咽有害
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
Precautionary statements
  • P201 Obtain special instructions before use. 使用前获取专门指示。
  • P202 Do not handle until all safety precautions have been read and understood. 已阅读并理解所有的安全预防措施之前,切勿操作。
  • 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。
  • 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。
  • 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+P310+P330
  • P305+P351+P338
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
  • H302 Harmful if swallowed 吞食有害
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H301 Toxic if swallowed 吞食有毒
RTECSDL2100000
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes Xn Xn,Xi Xi
UN Number 2811
Packing GroupIII
Hazard Class6.1
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 140 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   JPETAB Journal of Pharmacology and Experimental Therapeutics.  (Williams &
   Wilkins Co., 428 E. Preston St., Baltimore, MD 21202)  V.1-    1909/10-
   Volume(issue)/page/year: 105,486,1952

TYPE OF TEST            : Unscheduled DNA synthesis
TEST SYSTEM             : Rodent - rat Liver
DOSE/DURATION           : 10 umol/L
REFERENCE :
   ENMUDM Environmental Mutagenesis.  (New York, NY)  V.1-9, 1979-87.  For
   publisher information, see EMMUEG.  Volume(issue)/page/year: 3,11,1981

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Salmonella typhimurium
DOSE/DURATION           : 600 nmol/L
REFERENCE :
   ENMUDM Environmental Mutagenesis.  (New York, NY)  V.1-9, 1979-87.  For
   publisher information, see EMMUEG.  Volume(issue)/page/year: 3,11,1981

其他信息

  • 用途一:用作阳离子染料中间体
  • 图谱信息:2-氨基-6-甲氧基苯并噻唑(1747-60-0)红外图谱(IR1) 2-氨基-6-甲氧基苯并噻唑(1747-60-0)红外图谱(IR2) 2-氨基-6-甲氧基苯并噻唑(1747-60-0)质谱(MS)
  • Hazard Note:Irritant
  • 下游产品:阳离子蓝X-GRRL --> 阳离子暗黄2RL --> 6-甲氧基-3-甲基苯并噻唑腙-[2] --> 碱性兰162
  • Sigma Aldrich:1747-60-0(sigmaaldrich)
  • 2-氨基-6-甲氧基苯并噻唑价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 A0715 2-氨基-6-甲氧基苯并噻唑 2-Amino-6-methoxybenzothiazole 25G 403元 2014/06/02 A0715 2-氨基-6-甲氧基苯并噻唑 2-Amino-6-methoxybenzothiazole 500G 1940元 2010/06/21 172022500 2-氨基-6-甲氧基苯并噻唑 2-Amino-6-methoxybenzothiazole 98% 250 GR 3310元
  • 用途二:染料中间体。用于制造阳离子艳蓝RL、阳离子黄2RL;由它制备6-甲氧基-3-甲基苯并噻唑腙,进而生产阳离子黄GL等。
  • MOL 文件:1747-60-0.mol
  • 检测方法:HPLC
  • 用途三:染料中间体,用于制造阳离子艳蓝RL、阳离子黄2RL;由它制备6-甲氧基-3-甲基苯并噻唑腙,进而生产阳离子黄GL等。
  • 上游原料:氨基苯 --> Α-球蛋白 --> 对甲氧基苯胺 --> 硫氰酸钠 --> 刚果红试纸 --> 二氯化二硫 --> 工业盐酸 --> 对甲氧基苯基硫脲 --> 酚酞 --> 对甲氧基苯硫脲
  • Acros Organics:2-氨基-6-甲氧基苯并噻唑 2-Amino-6-methoxybenzothiazole, tech., 90%(1747-60-0)
  • Alfa Aesar:2-氨基-6-甲氧基苯并噻唑,98% 2-Amino-6-methoxybenzothiazole, 98%(1747-60-0)
  • TCI Shanghai:2-氨基-6-甲氧基苯并噻唑 2-Amino-6-methoxybenzothiazole,>;98.0%(T)(1747-60-0)
  • 方法一:先由对氨基苯甲醚盐酸盐和硫氰酸钠反应,得到对甲氧基苯基硫脲,再与氯化硫闭环而得。工艺过程如下:(1)在搪玻璃锅中加入水,加热到60℃,搅拌下慢慢加入对氨基苯甲醚,在60-65℃搅拌30min使其完全溶解。用30%工业盐酸调整溶液酸度刚果红试纸呈微蓝色,维持10min,再加硫氰酸钠,加热,慢慢升温到105℃,在105℃左右回流24h。然后冷到25℃过滤。滤饼用水洗涤、干燥,得对甲氧基苯基硫脲。(2)将无水氯仿吸入干燥的搪玻璃锅中,搅拌下加入干燥的对甲氧基苯硫脲。加热到60-62℃,蒸出部分氯仿及原料中的水。然后冷却到25℃,逐渐加入氯化硫。加完后,在30℃搅拌1h,升温到43-45℃反应4h。反应中产生氯化氢气体,通过吸收系统吸收。再于62-64℃回流反应10h。然后冷却到60℃以下,将物料压到装有烟囱灰(代活性炭)和水的酸性蒸馏锅中,用直接蒸汽蒸馏回收氯仿,直到温度95℃,并维持15min。氯仿回收后停止蒸馏,冷到90℃,加水调整体积,再加冰冷却到45℃,细流加入30%液碱,调整pH值至4-5,搅拌15min。抽滤,将滤液加热到60℃,用30%液碱进行碱析酚酞呈微红色。抽滤,所得滤饼即为成品。熔点160-163℃收率85%。
  • 外观性质:白色晶体。熔点:165-167℃沸点:240°C
  • MSDS 信息:6-Methoxy-2-aminobenzothiazole(1747-60-0).msds

系列性分类


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