6998-11-4

• 

• Basic information

  1. Product Name: prop-2-en-1-yl 2-{[3-(3-bromo-4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-7-methyl-5-[4-(methylsulfanyl)phenyl]-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
  2. Synonyms:
  3. CAS NO:6998-11-4
  4. Molecular Formula: C₁₄H₂₀BrNO
  5. Molecular Weight: 713.6632
  6. EINECS: N/A
  7. Product Categories: N/A
  8. Mol File: 6998-11-4.mol
  9. Article Data: 6

• Chemical Properties

  1. Melting Point: N/A
  2. Boiling Point: 804.2°C at 760 mmHg
  3. Flash Point: 440.1°C
  4. Appearance: N/A
  5. Density: 1.42g/cm³
  6. Vapor Pressure: 6.85E-26mmHg at 25°C
  7. Refractive Index: 1.681
  8. Storage Temp.: N/A
  9. Solubility: N/A
  10. CAS DataBase Reference: prop-2-en-1-yl 2-{[3-(3-bromo-4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-7-methyl-5-[4-(methylsulfanyl)phenyl]-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate(CAS DataBase Reference)
  11. NIST Chemistry Reference: prop-2-en-1-yl 2-{[3-(3-bromo-4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-7-methyl-5-[4-(methylsulfanyl)phenyl]-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate(6998-11-4)
  12. EPA Substance Registry System: prop-2-en-1-yl 2-{[3-(3-bromo-4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-7-methyl-5-[4-(methylsulfanyl)phenyl]-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate(6998-11-4)

• Safety Data

  1. Hazard Codes: N/A
  2. Statements: N/A
  3. Safety Statements: N/A
  4. WGK Germany:
  5. RTECS:
  6. HazardClass: N/A
  7. PackingGroup: N/A
  8. Hazardous Substances Data: 6998-11-4(Hazardous Substances Data)

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• Article

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6998-11-4 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 6998-11-4 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 6,9,9 and 8 respectively; the second part has 2 digits, 1 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 6998-11:
(6*6)+(5*9)+(4*9)+(3*8)+(2*1)+(1*1)=144
144 % 10 = 4
So 6998-11-4 is a valid CAS Registry Number.

6998-11-4SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 15, 2017

Revision Date: Aug 15, 2017

1.Identification

1.1 GHS Product identifier

Product name	prop-2-enyl 2-[[3-(3-bromo-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-7-methyl-5-(4-methylsulfanylphenyl)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

1.2 Other means of identification

Product number	-
Other names	N-(4-bromophenyl)octanamide

1.3 Recommended use of the chemical and restrictions on use

Identified uses	For industry use only.
Uses advised against	no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number	-
Service hours	Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:6998-11-4 SDS

6998-11-4Upstream product

• 106-40-1 4-bromo-aniline 
• 111-64-8 n-octanoic acid chloride 
• 62-53-3 aniline 
• 6998-10-3 N-phenylhexanamide 
• 4076-76-0 2-phenylethyl octanoate 
• 124-07-2 Octanoic acid 

6998-11-4Downstream Products

6998-11-4Relevant articles and documents

Cu-Mediated Synthesis of Indolines and Dihydroisoquinolinones through Arylperfluoroalkylation of Unactivated Alkenes

Li, Dandan,Wang, Yan,Jia, Zhenzhen,Ou, Zhaocheng,Dong, Yongrui,Lv, Cunjie,Fu, Guangbin,Liang, Deqiang

, p. 4797 - 4804 (2019/08/12)

The copper-mediated fluroalkylation/cyclization of N-allyl anilines has been described using fluoroalkyl iodides as fluoroalkylation reagents for the first time. The reaction provides an efficient and direct access to 3-fluoroalkyl indolines in moderate to good yields with unactivated double bonds as the radical acceptor. This protocol combines a simple experimental procedure with low-costing fluoroalkylated sources and excellent functional group tolerance.

Synthetic method of CF3-containing indoline and 1,2,3,4-tetrahydroisoquinoline

-

Paragraph 0027; 0029; 0030; 0031; 0042, (2019/01/14)

The invention discloses a synthetic method of CF3-containing indoline and 1,2,3,4-tetrahydroisoquinoline and relates to the technical field of compound synthesis. The synthetic method herein is basedon metal-free trifluoromethylation/cyclization free radical cascade reaction using a nonactive olefin dual-bond as a free radical receptor; the reaction aforementioned helps synthesize, in one step, CF3-containing indoline and 1,2,3,4-tetrahydroisoquinoline. The synthetic method herein has the significant advantages of mild conditions, good operational simplicity, low cost, wide substrate range, good exo selectivity and the like.

Catalytic Aerobic Oxidation of Arylhydrazides with Iron Phthalocyanine

Hashimoto, Takuma,Hirose, Daisuke,Taniguchi, Tsuyoshi

supporting information, p. 3346 - 3352 (2015/11/03)

A convenient method for the synthesis of 2-arylazocarboxylates from 2-arylhydrazinecarboxylates by aerobic oxidation with iron phthalocyanine is described. The reaction is applicable to oxidative activation of 1-acyl-2-phenylhydrazines. Some preliminary experiments suggest Michaelis-Menten kinetics and participation of radical species in the reaction mechanism.

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