[ CAS No. 4998-15-6 ] {[proInfo.proName]}

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Quality Control of [ 4998-15-6 ]

COA NMR CNMR HPLC LC-MS

Related Doc. of [ 4998-15-6 ]

SDS Specification

Alternatived Products of [ 4998-15-6 ]

Product Details of [ 4998-15-6 ]

CAS No. :	4998-15-6	MDL No. :	MFCD03411516
Formula :	C₈H₅ClO₂	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	-
M.W :	168.58	Pubchem ID :	-
Synonyms :

Safety of [ 4998-15-6 ]

Signal Word:	Warning	Class:
Precautionary Statements:	P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501	UN#:
Hazard Statements:	H302-H312-H332	Packing Group:
GHS Pictogram:

Application In Synthesis of [ 4998-15-6 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

Upstream synthesis route of [ 4998-15-6 ]
Downstream synthetic route of [ 4998-15-6 ]

[ 4998-15-6 ] Synthesis Path-Upstream 1~1

1
[ 4998-15-6 ]
[ 4996-21-8 ]

Reference： [1] Tetrahedron Letters, 2011, vol. 52, # 31, p. 4036 - 4038
[2] Turkish Journal of Chemistry, 2015, vol. 39, # 2, p. 244 - 254
[3] Research on Chemical Intermediates, 2017, vol. 43, # 7, p. 3925 - 3937
[4] Australian Journal of Chemistry, 2015, vol. 68, # 10, p. 1529 - 1534

[ 4998-15-6 ] Synthesis Path-Downstream 1~26

1
[ 4998-15-6 ]
[ 17220-38-1 ]
[ 67200-28-6 ]

Reference： [1]Chemistry of Heterocyclic Compounds,1978,vol. 14,p. 500 - 502
Khimiya Geterotsiklicheskikh Soedinenii,1978,vol. 14,p. 613 - 615

2
[ 88497-27-2 ]
[ 4998-15-6 ]
6-bromo-2-(4'-chlorophenyl)imidazo<1,2-b>pyridazin-3(5H)-one [ No CAS ]

Reference： [1]Australian Journal of Chemistry,1986,vol. 39,p. 1803 - 1809

3
[ 4998-15-6 ]
[ 1219-99-4 ]
1,3,5-tris-(4-chloro-phenyl)-imidazolidine-2,4-dione [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
50%	With hydrogenchloride; acetic acid for 6h; Heating;

Reference： [1]Muccioli, Giulio G.; Wouters, Johan; Charlier, Caroline; Scriba, Gerhard K. E.; Pizza, Teresa; Di Pace, Pierluigi; De Martino, Paolo; Poppitz, Wolfgang; Poupaert, Jacques H.; Lambert, Didier M. [Journal of Medicinal Chemistry, 2006, vol. 49, # 3, p. 872 - 882]

4
[ 3240-72-0 ]
[ 4998-15-6 ]
[ 64804-84-8 ]

Reference： [1]Russian Journal of Organic Chemistry,2006,vol. 42,p. 136 - 138

5
[ 3240-72-0 ]
[ 4998-15-6 ]
[ 64233-23-4 ]

Reference： [1]Russian Journal of Organic Chemistry,2006,vol. 42,p. 136 - 138

6
[ 7399-49-7 ]
[ 4998-15-6 ]
(S)-4-(2-methylphenyl)-1-(4-chlorophenyl)-2-hydroxy-4-penten-1-one [ No CAS ]
(R)-4-(2-methylphenyl)-1-(4-chlorophenyl)-2-hydroxy-4-penten-1-one [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	In dichloromethane at 20℃; for 0.5h; Title compound not separated from byproducts.;

Reference： [1]Luo, He-Kuan; Khim, Lim Bee; Schumann, Herbert; Lim, Christina; Jie, Tan Xiang; Yang, Hai-Yan [Advanced Synthesis and Catalysis, 2007, vol. 349, # 10, p. 1781 - 1795]

7
[ 1605-18-1 ]
[ 4998-15-6 ]
(S)-4-(4-isopropenylphenyl)-1-(4-chlorophenyl)-2-hydroxy-4-penten-1-one [ No CAS ]
(R)-4-(4-isopropenylphenyl)-1-(4-chlorophenyl)-2-hydroxy-4-penten-1-one [ No CAS ]

Reference： [1]Advanced Synthesis and Catalysis,2007,vol. 349,p. 1781 - 1795

8
[ 3748-13-8 ]
[ 4998-15-6 ]
(S)-4-(3-isopropenylphenyl)-1-(4-chlorophenyl)-2-hydroxy-4-penten-1-one [ No CAS ]
(R)-4-(3-isopropenylphenyl)-1-(4-chlorophenyl)-2-hydroxy-4-penten-1-one [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	In dichloromethane at 20℃; for 0.166667h; Title compound not separated from byproducts.;

Reference： [1]Luo, He-Kuan; Khim, Lim Bee; Schumann, Herbert; Lim, Christina; Jie, Tan Xiang; Yang, Hai-Yan [Advanced Synthesis and Catalysis, 2007, vol. 349, # 10, p. 1781 - 1795]

9
[ 4998-15-6 ]
[ 107-15-3 ]
[ 91517-25-8 ]

Yield	Reaction Conditions	Operation in experiment
9%	Stage #1: 4-chlorophenylglyoxal; ethylenediamine In tetrahydrofuran; methanol at 0℃; for 0.166667h; Stage #2: With sodium tetrahydroborate In tetrahydrofuran; methanol Stage #3: With hydrogenchloride; sodium hydroxide more than 3 stages;	8 A methanol (10 ML) solution OF ETHYLENEDIAMINE (1. 90 g, 31. 6 mmol) was added to the ice-cooled solution of 4-EHLOROPHENYLGLYOXAL (4. 43 g, 26. 3 mmol) in methanol (100 ML) and tetrahydrofuran (30 ml) and stirred for 10 min. After addition of sodium tetrahydroborate (3. 26 g, 86. 3 mmol), additional methanol (50 ML) was added and stirred overnight. After removal of the solvent, diluted hydrochloric acid was added and extracted with ether twice. After addition of sodium hydroxide, basic aqueous layer was extracted with dichloromethane three times and washed with brine and dried over sodium sulfate. After removal of the solvent by filtration, purification of the residue by silica gel column chromatography (eluent ; dichloromethane/ethanol = 10/1 to DICHLOROMETHANE/ETHANOL/DIETHYLAMINE = 20/2/1) to give 2- (4-CHLOROPHENYL)-PIPERAZINE (0. 43 g, 9%) IH-NMR (CDC13) A 2. 67 (1H, dd, J=10. 5, 12. 0 Hz), 2. 87-3. 03 (4H, m), 3. 07-3. 13 (1H, m), 3. 77 (1H, dd, J=2. 7, 10. 2 Hz), 7. 27-7. 36 (4H, m).

Reference： [1]Current Patent Assignee: SANOFI; MITSUBISHI CHEMICAL HOLDINGS CORPORATION - WO2004/85408, 2004, A1 Location in patent: Page 275

10
[ 127-07-1 ]
[ 4998-15-6 ]
[ 1118067-55-2 ]

Reference： [1]Mendeleev Communications,2008,vol. 18,p. 102 - 104

11
[ 127-07-1 ]
[ 4998-15-6 ]
[ 1118067-47-2 ]

Reference： [1]Mendeleev Communications,2008,vol. 18,p. 102 - 104

12
[ 1004-38-2 ]
[ 126-81-8 ]
[ 4998-15-6 ]
[ 1253375-40-4 ]