[ CAS No. 52988-34-8 ]

Name: 52988-34-8|4'-Methoxy-[1,1'-biphenyl]-4-carbaldehyde|96%
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SKU: A455895
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Quality Control of [ 52988-34-8 ]

COA NMR CNMR HPLC LC-MS

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SDS Specification

Alternatived Products of [ 52988-34-8 ]

Product Details of [ 52988-34-8 ]

CAS No. :	52988-34-8	MDL No. :	MFCD01862517
Formula :	C₁₄H₁₂O₂	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	JTTIGLYPLMYHAT-UHFFFAOYSA-N
M.W :	212.24 g/mol	Pubchem ID :	1394487
Synonyms :

Calculated chemistry of [ 52988-34-8 ]

Physicochemical Properties

Num. heavy atoms :	16
Num. arom. heavy atoms :	12
Fraction Csp3 :	0.07
Num. rotatable bonds :	3
Num. H-bond acceptors :	2.0
Num. H-bond donors :	0.0
Molar Refractivity :	63.76
TPSA :	26.3 Å²

Pharmacokinetics

GI absorption :	High
BBB permeant :	Yes
P-gp substrate :	No
CYP1A2 inhibitor :	Yes
CYP2C19 inhibitor :	Yes
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-5.19 cm/s

Lipophilicity

Log Po/w (iLOGP) :	2.29
Log Po/w (XLOGP3) :	3.39
Log Po/w (WLOGP) :	3.17
Log Po/w (MLOGP) :	2.6
Log Po/w (SILICOS-IT) :	3.7
Consensus Log Po/w :	3.03

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	0.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	-3.65
Solubility :	0.0477 mg/ml ; 0.000225 mol/l
Class :	Soluble
Log S (Ali) :	-3.62
Solubility :	0.0508 mg/ml ; 0.000239 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-5.0
Solubility :	0.00214 mg/ml ; 0.0000101 mol/l
Class :	Moderately soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	1.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.41

Safety of [ 52988-34-8 ]

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P261-P305+P351+P338	UN#:	N/A
Hazard Statements:	H315-H319-H335	Packing Group:	N/A
GHS Pictogram:

Application In Synthesis of [ 52988-34-8 ]

* 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 [ 52988-34-8 ]
Downstream synthetic route of [ 52988-34-8 ]

[ 52988-34-8 ] Synthesis Path-Upstream 1~2

1
[ 52988-34-8 ]
[ 725-14-4 ]

Reference： [1] Russian Journal of General Chemistry, 2014, vol. 84, # 4, p. 782 - 788[2] Zh. Obshch. Khim., 2014, vol. 84, # 4, p. 782 - 788,7

2
[ 127591-24-6 ]
[ 1130440-65-1 ]
[ 1122-91-4 ]
[ 52988-34-8 ]
[ 90035-34-0 ]

Reference： [1] Organometallics, 2011, vol. 30, # 6, p. 1299 - 1302

[ 52988-34-8 ] Synthesis Path-Downstream 1~59

1
[ 20854-60-8 ]
[ 52988-34-8 ]

Yield	Reaction Conditions	Operation in experiment
	With manganese dioxide; In tetrahydrofuran;	(3) 4'-Methoxy[1,1'-biphenyl]-4-carbaldehyde A mixed solution of 4-(4'-methoxyphenyl)benzylalcohol (1.20 g, 5.60 mmol), manganese dioxide (2.0 g) and tetrahydrofuran (25 ml) was stirred at room temperature for 72 hours. The reaction solution was filtered and the filtrate was concentrated under reduced pressure. The residue was purified by silica gel column chromatography (hexane:ethyl acetate:tetrahydrofuran=5:1:1) to give the object compound (1.1 g) as colorless crystals. Melting point: 99-100 C. 1H-NMR (CDCl3) delta; 3.87 (3H, s), 7.01 (2H, d, J=8.8 Hz), 7.60 (2H, d, J=8.8 Hz), 7.72 (2H, d, J=8.2 Hz), 7.93 (2H, d, J=8.2 Hz), 10.04 (1H, s).

Reference： [1]Analytical Chemistry,1980,vol. 52,p. 2417 - 2420
[2]Patent: US2003/144338,2003,A1
[3]Journal of the American Chemical Society,2009,vol. 131,p. 17500 - 17521

2
[ 52988-34-8 ]
[ 621-95-4 ]
[ 75472-33-2 ]

Reference： [1]Analytical Chemistry,1980,vol. 52,p. 2417 - 2420

3
[ 699-19-4 ]
[ 1122-91-4 ]
[ 52988-34-8 ]

Reference： [1]Tetrahedron,2005,vol. 61,p. 11168 - 11176

4
[ 1122-91-4 ]
[ 13139-86-1 ]
[ 52988-34-8 ]

Reference： [1]Tetrahedron,2005,vol. 61,p. 11168 - 11176

5
[ 104-92-7 ]
[ 128376-64-7 ]
[ 52988-34-8 ]

Reference： [1]Synthetic Communications,2007,vol. 37,p. 667 - 674

6
[ 696-62-8 ]
[ 195062-57-8 ]
[ 52988-34-8 ]

Reference： [1]Synthetic Communications,2007,vol. 37,p. 667 - 674

7
[ 5720-07-0 ]
[ 104-88-1 ]
[ 52988-34-8 ]

Yield	Reaction Conditions	Operation in experiment
86%	With potassium phosphate tribasic trihydrate; cis-[PdCl2(Ph2PNHpy)]; In N,N-dimethyl-formamide; at 100℃; for 15h;Schlenk technique;	General procedure: In a 25 mL Schlenk tube containing a magnetic stirrer bar, 4-chloroacetophenone (2a) (155 mg, 1 mmol) was mixed with 4-methoxyphenylboronic acid (3a) (228 mg, 1.5 mmol). Then trihydrate potassium phosphate (798 mg, 3 mmol) and DMF (5 mL) were added. The dissolved mixture of 1 (1.50 mL, 0.015 mmol) was transferred into the tube by a pipette. The tube was placed in a 100C oil bath and stirred for 15 h. At the end of the reaction, the mixture was cooled to room temperature, added with water (5 mL), and then extracted with ethyl acetate (3×5 mL). The organic layer was dried over anhydrous Na2SO4. After evaporation of the solvent, the residue was subjected to silica gel column chromatography to give the cross-coupling product.
70%	With triethylamine; In neat (no solvent); at 20℃; for 0.583333h;Green chemistry;	General procedure: Triethylamine (NEt3) (2 mmol, 0.202 g) was added to a mixture of iodobenzene (1.0 mmol, 0.203 g) and phenylboronic acid (1.2 mmol, 0.146 g) in solvent-free conditions at ambient temperature. FMMWCNTs(at)CPA(at)SMTU(at)PdII NPs (IV) (0.55 mol-%, 0.025 g) were then added to the resulting mixture under stirring. After the completion of the reaction (10 min) which was monitored by TLC, the nanocatalyst was separated by a magnetic field, washed with ethyl acetate, and dried at room temperature for 24 h to be used in the next run. The reaction mixture was then extracted with ethyl acetate (55 mL) and the combined organic layer was dried over anhydrous Na2SO4. After evaporation of the solvent, the crude product was purified by TLC (or column chromatography using n-hexane/ethylacetate (50 : 1)) using n-hexane/ethyl acetate (8 : 2) to producethe pure 1,1'-biphenyl (0.144 g, 98% yield).

Reference： [1]Applied Organometallic Chemistry,2020
[2]Advanced Synthesis and Catalysis,2012,vol. 354,p. 3456 - 3460
[3]Advanced Synthesis and Catalysis,2011,vol. 353,p. 1543 - 1550
[4]RSC Advances,2017,vol. 7,p. 47104 - 47110
[5]Tetrahedron,2017,vol. 73,p. 3125 - 3132
[6]Applied Organometallic Chemistry,2013,vol. 27,p. 419 - 424
[7]Catalysis science and technology,2015,vol. 5,p. 2388 - 2392
[8]Dalton Transactions,2017,vol. 46,p. 539 - 546
[9]Synlett,2006,p. 1503 - 1506
[10]Australian Journal of Chemistry,2019,vol. 72,p. 674 - 692
[11]Organic and Biomolecular Chemistry,2012,vol. 10,p. 9410 - 9417
[12]Organic Process Research and Development,2012,vol. 16,p. 117 - 122
[13]Journal of Organic Chemistry,2016,vol. 81,p. 10049 - 10055

8
[ 696-62-8 ]
[ 87199-17-5 ]
[ 52988-34-8 ]

Reference： [1]Advanced Synthesis and Catalysis,2013,vol. 355,p. 2007 - 2018
[2]Tetrahedron,2008,vol. 64,p. 3905 - 3911
[3]Beilstein Journal of Organic Chemistry,2011,vol. 7,p. 378 - 385
[4]Inorganic Chemistry,2020
[5]Organic Letters,2016,vol. 18,p. 312 - 315
[6]Applied Organometallic Chemistry,2018,vol. 32
[7]Journal of Organometallic Chemistry,2020,vol. 923
[8]ChemCatChem,2015,vol. 7,p. 2526 - 2533
[9]Advanced Synthesis and Catalysis,2009,vol. 351,p. 635 - 641
[10]Synlett,2007,p. 1251 - 1254

9
[ 104-92-7 ]
[ 128376-65-8 ]
[ 52988-34-8 ]

Reference： [1]Tetrahedron,2007,vol. 63,p. 10596 - 10602

10
[ 623-12-1 ]
[ 87199-17-5 ]
[ 52988-34-8 ]

Yield	Reaction Conditions	Operation in experiment
72%	With C27H39Br2N3Pd; potassium hydroxide; In isopropyl alcohol; at 82℃; for 0.0333333h;	General procedure: A two-necked 25.0mL flask fitted with a reflux condenser and septum was charged with aryl halide (1.0mmol), phenylboronic acid (1.2mmol), KOH (2.0mmol), diethyleneglycol-di-n-butylether (0.6mmol, internal standard), and the palladium-pyridine catalyst (0.01mol %) in isopropyl alcohol (1.0mL) was added. The mixture was heated to 82C under an air atmosphere. The conversion was monitored by gas chromatography.

Reference： [1]Tetrahedron,2018,vol. 74,p. 6829 - 6838
[2]Dalton Transactions,2017,vol. 46,p. 539 - 546
[3]Tetrahedron,2007,vol. 63,p. 12646 - 12654

11
[ 106-38-7 ]
[ 52988-34-8 ]

Reference： [1]Synthetic Communications,2007,vol. 37,p. 667 - 674

12
[ 1122-91-4 ]
LiPh₂InH₂ [ No CAS ]
[ 52988-34-8 ]

Reference： [1]Synthetic Communications,2007,vol. 37,p. 667 - 674

13
[ 104-92-7 ]
Mo(CO)6 [ No CAS ]
[ 52988-34-8 ]

Reference： [1]Tetrahedron,2005,vol. 61,p. 11168 - 11176

14
[ 623-12-1 ]
[ 52988-34-8 ]

Reference： [1]Tetrahedron,2005,vol. 61,p. 11168 - 11176

15
[ 52988-34-8 ]
N-methyl-4-(4-methoxyphenyl)benzylamine [ No CAS ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2002,vol. 12,p. 51 - 55

16
[ 52988-34-8 ]
1-(N-methyl-N-(4-(4-methoxyphenyl)-benzyl)aminocarbonylmethyl)-2-(4-fluorobenzyl)thio-5-(1-methyl-4-pyrazolylmethyl)pyrimidin-4-one [ No CAS ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2002,vol. 12,p. 51 - 55

17
[ 7173-86-6 ]
cyclohexylMgX [ No CAS ]
[ 52988-34-8 ]

Reference： [1]Synthesis,1999,p. 2138 - 2144

18
[ 52988-34-8 ]
[ 162755-28-4 ]

Reference： [1]Russian Journal of General Chemistry,1995,vol. 65,p. 127 - 136
Zhurnal Obshchei Khimii,1995,vol. 65,p. 145 - 154

19
[ 13021-18-6 ]
[ 52988-34-8 ]

Reference： [1]Analytical Chemistry,1980,vol. 52,p. 2417 - 2420

20
[ 92-69-3 ]
[ 52988-34-8 ]

Reference： [1]Analytical Chemistry,1980,vol. 52,p. 2417 - 2420

21
[ 613-37-6 ]
[ 52988-34-8 ]

Reference： [1]Analytical Chemistry,1980,vol. 52,p. 2417 - 2420

22
[ 725-14-4 ]
[ 52988-34-8 ]

Reference： [1]Analytical Chemistry,1980,vol. 52,p. 2417 - 2420

23
[ 53040-92-9 ]
[ 52988-34-8 ]

Reference： [1]Journal of the American Chemical Society,1974,vol. 96,p. 4611 - 4616

Yield	Reaction Conditions	Operation in experiment
91%	With C28H34ClN3O5Pd; sodium carbonate; In water; N,N-dimethyl-formamide; at 25℃; for 0.666667h;	General procedure: Aryl bromide (0.5 mmol) and arylboronic acid (0.75 mmol) were stirred in the presence of 0.1 mol% catalyst 2 (0.0005 mmol, 0.0003 g) and 0s2003 or Na2003(1 mmol) in DMF-H20 (1:1) (1.6 mL, 0.8 mL DMF and 0.8 mL H20) at room temperature (25 00). After adding crushed ice (3 g) the precipitated biaryls were filtered and washed with water (3 X 3 mL). All compounds except 8f were isolated by this way and dried under vacuum. As an exception,compound 8f was purified by extraction with 0H013 (3X5mL) and following chromatographic methods.
82%	With tris(2-thienyl)phosphine; palladium diacetate; potassium carbonate; In 1-methyl-pyrrolidin-2-one; at 60℃; for 3h;	General procedure: In the reaction flask, aryl hydrazine (1 mmol), brominated aromatic hydrocarbon (1.1 mmol), Pd(OAc) 2 (0.02 mmol), ligand TFP (0.03 mmol), K2CO3 (2.0 mmol) and 2 mL of NMP were added and stirred. Then, the reaction was carried out by heating to 60 C. After reacting for 3 hours, the reaction was completely monitored by TLC, and the mixture was cooled to room temperature. The solid was filtered off, and then, after adding 1 mL of water, the mixture was extracted three times with 2 mL of diethyl ether, and the combined extracts were evaporated to dryness. The product is obtained by column separation using an ester mixed solvent as an eluent. The reaction conditions and reaction results are shown in Table 4, and the reaction formula is as follows:
72%	With dichloro [1,1'-bis(diphenylphosphino)propane]palladium(II); caesium carbonate; ruphos; In N,N-dimethyl acetamide; at 90℃; for 6h;	General procedure: Add arylsulfonyl hydrazide (1.0 mmol) to the reaction flask,P-methoxybromobenzene (1.1 mmol),Palladium catalyst Pd (dppp) Cl2 (5mol%),Ligand RuPhos (10mol%),Base Cs2CO3 (1.2mol) andSolvent DMA (2mL), then heated to 90 C for reaction, TLC monitored the progress of the reaction,After 6 hours, 10 mL of water was added, and then extracted three times with dichloromethane, washed with saturated brine, dried over anhydrous sodium sulfate, concentrated to remove the solvent, and then separated by column chromatography.The product biaryl hydrocarbon is obtained, and the reaction formula is as follows:

The p-diphenylaldehydes of formula (6) may be the following compounds: 2-chloro-4-phenylbenzaldehyde, 4-(p-methylphenyl)-benzaldehyde 4-(p-methoxyphenyl)-benzaldehyde 4-(p-chlorophenyl)-benzaldehyde p-phenylbenzaldehyde

25
[ 58743-77-4 ]
[ 52988-34-8 ]

Yield	Reaction Conditions	Operation in experiment
82%		[0116] STEP 2 : 4 -METHOXY-L, L -BIPHENYL-4-CARBALDEHYDE. DIISOBUTYL-ALUMINUM hydride (86 mL of a 1 M solution in methylene chloride, 86 mmol) was added under nitrogen dropwise over 1 h to a solution OF 4 -METHOXY-1, 1 -BIPHENYL-4-CARBONITRILE (15. 0G, 71.7 mmol), prepared in the previous step, in 500 mL of methylene chloride at ice bath temperature. After the addition the ice bath was removed and the reaction was stirred at room temperature for 1 h. By TLC starting material remained. The reaction was cooled to ice bath temperature and an additional 60 mL (60 mmol) of the diisobutylaluminum hydride was added dropwise over 1 h. After the addition the reaction was stirred at room temperature for 16 h. At room temperature 2 N HC1 was added slowly until the reaction was acidic. Additional water and methylene chloride were added and the mixture filtered. The organic layer was then separated and the aqueous layer extracted multiple times with methylene chloride. The combined extracts were dried (MGS04) and the solvent removed under reduced pressure to give 4'-methoxy-l, L -BIPHENYL-4- carbaldehyde (12. 5g, 82%) as a pale yellow solid, MS (EI) 7N/Z 212. Elemental Analysis for C14H1202. Calc'd: C, 79.23 ; H, 5.70 ; N, 0.00. Found: C, 77.92 ; H, 5.87 ; N, 0.00

Reference： [1]Patent: WO2005/30702,2005,A1 .Location in patent: Page/Page column 47

26
[ 52988-34-8 ]
[ 477727-37-0 ]

Yield	Reaction Conditions	Operation in experiment
96%	With bromine; acetic acid; at 20℃; for 16.5h;	[0117] Step 3: 3 -BROMO-4 -METHOXY-1, 1'-biphenyl-4-carbaldehyde. Bromine (8.2 ML, 0.160 mol) in 40 mL of glacial HOAC was added under nitrogen dropwise over 30 minutes to a solution OF 4 -METHOXY-1, 1 -BIPHENYL-4-CARBALDEHYDE (31. 0G, 0.146 mol), prepared in the previous step, in 500 mL of glacial HOAC at room temperature. After the addition the reaction was stirred at room temperature for 16 h. During the reaction a solid precipitated. The solid can be collected by filtration. If by TLC starting material remains in either the solid or filtrate the solid can be redissolved and additional bromine added until the reaction is complete. When the reaction is complete by TLC, water is added and the solid present is collected by filtration to give 3'-bromo-4'-methoxy-1, 1'-biphenyl-4-carbaldehyde (40. 8G, 96%) as a white solid, MS (ESI) M/Z 290. Elemental Analysis for CL4. HNBR02. Calc'd: C, 57.76 ; H, 3.81 ; N, 0.00. Found: C, 57.30 ; H, 3.61 ; N, 0.00.

Reference： [1]Patent: WO2005/30702,2005,A1 .Location in patent: Page/Page column 47-48

27
3-ethyl-5-(2-hydroxyethyl-4-methyl thiazolium bromide [ No CAS ]
[ 52988-34-8 ]
[ 78-94-4 ]
[ 376637-01-3 ]

Yield	Reaction Conditions	Operation in experiment
45.9%	With triethylamine; In ethanol;	(4) 1-(4'-Methoxy[1,1'-biphenyl]-4-yl)-1,4-pentanedione A mixed solution of <strong>[52988-34-8]4'-methoxy[1,1'-biphenyl]-4-carbaldehyde</strong> (1.08 g, 5.09 mmol), methyl vinyl ketone (277 mg, 3.96 mmol), triethylamine (1.10 ml, 7.91 mmol) and 3-ethyl-5-(2-hydroxyethyl-4-methyl thiazolium bromide (200 mg, 0.791 mmol) in ethanol (6 ml) was stirred at 77 C. for 4 days, and the solvent was removed under reduced pressure. The residue was purified by silica gel column chromatography (hexane:ethyl acetate=5:1) to isolate the object compound as a solid. 510 mg (yield: 45.9%) 1H-NMR (CDCl3) delta; 2.27 (3H, s), 2.91 (2H, t, J=6.2 Hz), 3.30 (2H, t, J=6.2 Hz), 3.86 (3H, s), 7.00 (2H, d, J=9.2 Hz), 7.56-7.67 (4H, m), 8.02 (2H, d, J=8.6 Hz). IR (KBr) cm-1; 1709, 1674, 1601, 1260, 818, 743.

Reference： [1]Patent: US2003/144338,2003,A1

28
[ 52988-34-8 ]
[ 5720-07-0 ]
[ 1122-91-4 ]
[ 477726-56-0 ]

Yield	Reaction Conditions	Operation in experiment
	With bromine; In dichloromethane;	Example 47 3-(2-Amino-6-methyl-pyrimidin-4-yl)-biphenyl-4,4'-diol 4'-methoxy-biphenyl-4-carboxyaldehyde was made according to General Procedure G from 4-bromobenzaldehyde and 4-methoxyphenyl boronic acid in 95% yield. 22.08g (104 mmol) of 4'-methoxy-biphenyl-4-carboxyaldehyde was dissolved in 300 mL of methylenechloride and stirred at 0 C. 5.36 mL of bromine dissolved in 100 mL of methylenechloride was added dropwise. The reaction mixture stirred overnight and concentrated. The residue was redisolved in methylenechloride and basified with sodium bicarbonate. The organic layer was washed further with water and dried over sodium sulfate. The crude product was purified by column chromatography (1:1 hexane/ethyl acetate) to give desired product in 58% yield.

Reference： [1]Patent: US2003/187007,2003,A1

29
Pd(OAc)2/Ph₅FcP(t-Bu)2 [ No CAS ]
[ 5720-07-0 ]
[ 104-88-1 ]
[ 52988-34-8 ]

Yield	Reaction Conditions	Operation in experiment
94%	With KF; In tetrahydrofuran;	Example 103 4-formyl-4'-methoxy-1,1'-biphenyl (Table 15, Entry 5) 4-Chlorobenzaldehyde (141 mg, 1.00 mmol) reacted with 4-methoxyphenylboronic acid (200 mg, 1.32 mmol) using 1/2 mol % of Pd(OAc)2/Ph5FcP(t-Bu)2 and KF (180 mg, 3.10 mmol) in THF (2 ml) at 50 C. to give the title compound (202 mg, 94%) as a solid: 1H-NMR (400 MHz, CDCl3): delta. 13C{1H}-NMR (100 MHz, CDCl3): delta 191.90, 160.78, 146.77, 134.63, 132.03, 130.31, 128.48, 127.04, 114.45, 55.38.: GC/MS (EI): m/z 212 (M+).

Reference： [1]Patent: US6562989,2003,B2

30
[ 907597-46-0 ]
[ 52988-34-8 ]
N₁-(isothiazolo[5,4-b]pyridin-3-yl)-N₃-((4'-methoxybiphenyl-4-yl)methyl)propane-1,3-diamine [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With sodium tris(acetoxy)borohydride; acetic acid; In dichloromethane; at 20℃;	A mixture of N1-(isothiazolo[5,4-b]pyridin-3-yl)propane- 1,3-diamine (1.20 g, 5.77 mmol), 4'-methoxybiphenyl-4-carbaldehyde (1.22 g, 5.77 mmol), sodium triacetoxyborohydride (2.50 g, 11.8 mmol) and acetic acid (one drop) was taken up in methylene chloride (25 mL) and stirred overnight at room temperature under argon. The crude reaction mixture was concentrated under reduced pressure, diluted with ethyl acetate and washed successively with saturated aqueous sodium bicarbonate solution and brine. The organic layer was dried over anhydrous sodium sulfate, filtered and concentrated under reduced pressure. Purification by column chromatography, on silica gel, eluting with 95:5 EPO <DP n="155"/>methylene chloride methanol yielded NI-(isothiazolo[5,4-b]pyridin-3-yl)-N3-((4l- methoxybiphenyl-4-yl)raethyl)propane-l,3-diamine. 1H NMR (300 MHz, CD3OD): 8.66- 8.68 (d, IH), 8.40-8.45 (d, IH), 7.33-7.45 (m, 7H)5 6.96 (s, IH), 6.93 (s, IH), 3.83 (s, 2H), 3.80 (s, 3H), 3.58-3.63 (t, 2H), 2.78- 2.83 (t, 2H), 1.96-2.00 ppm (t, 2H). MW=405 confirmed by LC-MS, t,= 9.08 min (Method Y) MH+=406.

Reference： [1]Patent: WO2006/91858,2006,A1 .Location in patent: Page/Page column 152; 153-154

31
N₁-(4-chlorobenzo[d]isothiazol-3-yl)propane-1,3-diamine [ No CAS ]
[ 52988-34-8 ]
N₁-(4-chlorobenzo[d]isothiazol-3-yl)-N₃-((4'-methoxybiphenyI-4-yl)methyl)propane-1,3-diamine [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With sodium tris(acetoxy)borohydride; In 1,2-dichloro-ethane; at 20℃; for 18h;	NI-(4-Chlorobenzo[d]isothiazol-3-yl)propane-l,3-diamine (100 mg, 0.41 mmol) and 4'-methoxybiphenyl-4-carbaldehyde (88 mg, 0.41 mmol) were combined in 1,2-dichloroethane (2 mL) and treated with sodium triacetoxyborohydride (123 mg, 0.58 mmol). The mixture was sonicated at room temperature for 18h. The reaction was diluted with ethyl acetate and then washed with water, brine and saturated sodium bicarbonate solution. The organic solution was dried over anhydrous sodium sulfate, filtered and concentrated under reduced pressure. The resulting residue was purified by flash column chromatography, on silica gel, eluting with 98:2 methylene chloridermethanol to yield N*-(5- EPO <DP n="162"/>bromobenzo[d]isothiazol-3-yl)-N3-((4'-methoxybiphenyl-4-yl)methyl)propane-l,3-diamine (50 mg) as a white solid. 1H NMR (300 MHz, CDCl3): 7.60 (dd, IH), 7.44-7.50 (m, 4H), 7.38 (d, 2H), 7.35 (t, IH), 7.20 (dd, IH), 3.62 (t, 2H), 2.91 (t, 2H), 1.98-2.02 ppm (m, 2H). MW=438 confirmed by LC-MS, t,= 7.98 min (Method D) MH+=437-439.

Reference： [1]Patent: WO2006/91858,2006,A1 .Location in patent: Page/Page column 159; 160-161

32
[ 907597-01-7 ]
[ 52988-34-8 ]
N₁-(benzo[d]isothiazol-3-yl)-N₃-((4'-methoxybiphenyl-4-yl)methyl)propane-1,3-diamine [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
		N1-(Benzo[d]isothiazol-3-yl)propane-l,3-diamine (600 mg, 2.8 mmol) and 4'- methoxy-biphenyl-4-carboxaldehyde (614 mg, 2.8 mmol) were combined in 1,2- dichloroethane (20 mL) and treated with sodium triacetoxyborohydride (1.2 g, 5.7 mmol) and acetic acid (160 muL, 5.6 mmol). The mixture was stirred at room temperature overnight. The EPO <DP n="137"/>reaction was quenched by addition of saturated aqueous sodium bicarbonate solution. The crude product was extracted with ethyl acetate (2 x 50 mL). The organic extract was dried over anhydrous sodium sulfate, filtered and concentrated under reduced pressure. The resulting residue was purified by column chromatography, on silica gel, eluting with 98:2 methylene chloride: methanol to yield N1-(benzo[d]isothiazol-3-yl)-N3-((4'- methoxybiphenyl-4-yl)methyl)propane-l,3-diamine (330 mg) as a light yellow foam. 1H NMR (CDCl3): 7.80 (d, IH), 7.75 (d, IH), 7.25-7.45 (m, 8H), 6.90 (d, 2H), 3.95 (s, 2H), 3.85 (s, 3H), 3.70 (t, 2H), 3.00 (t, 2H), 2.30-2.40 ppm (m, 2H).

Reference： [1]Patent: WO2006/91858,2006,A1 .Location in patent: Page/Page column 135-136

33
[ 907597-17-5 ]
[ 52988-34-8 ]
N₁-(5-bromobenzo[d]isothiazol-3-yl)-N₃-((4'-methoxybiphenyl-4-yl)methyl)propane-1,3-diamine [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
		N1-(5-Bromobenzo[d]isothiazol-3-yl)propane-l,3-diamine EPO <DP n="136"/>(190 mg, 0.66 mmol) and 4'-methoxybiphenyl-4-carbaldehyde (140 mg, 0.66 mmol) were combined in 1,2-dichloroethane (30 mL) and treated with sodium triacetoxyborohydride (280 mg, 1.32 mmol) and acetic acid (one drop). The mixture was sonicated at room temperature for 18h. The reaction was diluted with ethyl acetate and then washed with water, brine and saturated sodium bicarbonate solution. The organic solution was dried over anhydrous sodium sulfate, filtered and concentrated under reduced pressure. The resulting residue was purified by flash column chromatography, on silica gel, eluting with 98:2 methylene chloride:methanol to yield N1-(5-bromobenzo[d]isothiazoI-3-yl)-N3-((4'-methoxybiphenyl-4- yl)methyl)propane-l,3-diamine (130 mg) as a yellow solid. MW=482 confirmed by LC-MS, tr= 3.24 min (Method B) MH+=481-483.

Reference： [1]Patent: WO2006/91858,2006,A1 .Location in patent: Page/Page column 134-135

34
N₁-(isothiazolo[5,4-b]pyrazin-3-yl)propane-1,3-diamine [ No CAS ]
[ 52988-34-8 ]
N₁-(isothiazolo[5,4-b]pyrazin-3-yl)-N₃-((4'-methoxybiphenyl-4-yl)methyl)propane-1,3-diamine [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
		N^Isothiazolo[5,4-b]pyrazin-3-yl)propane-l,3-diamine (410 mg, 1.96 mmol) and 4'-methoxybiphenyl-4-carbaldehyde (410 mg, 1.96 mmol) were combined in 1,2-dichloroethane (8 mL) and treated with sodium triacetoxyborohydride (506 mg, 2.35 mmol). The mixture was shaken at room temperature for 3h. The reaction was diluted with methylene chloride, quenched with water and the layers were separated. The organic solution was dried over anhydrous sodium sulfate, filtered and concentrated under reduced pressure. The resulting residue was purified by flash column chromatography, on silica gel, eluting with methylene chloride:methanol to yield N1-(isothiazolo[5,4-b]pyrazin-3- yl)-N3-((4'-methoxybiphenyl-4-yl)methyl)propane-l,3-diamine (100 mg) as a yellow solid. 1H NMR (300 MHz, DMSCMi)-' 8.79 (d, IH), 8.72 (d, IH), 7.90 (t, IH), 7.54 (m, 4H), 7.40 (d, 2H), 6.98 (d, 2H), 3.82 (s, 2H), 3.80 (s, 3H), 3.48 (t, 2H)5 2.70 (m, 3H), 1.85 ppm (m, 2H). MW=405 confirmed by LC-MS, tr= 9.59 min (Method Y) MH+=404-406.

Reference： [1]Patent: WO2006/91858,2006,A1 .Location in patent: Page/Page column 137; 139

35
[ 104-92-7 ]
[ 87199-17-5 ]
[ 52988-34-8 ]

Yield	Reaction Conditions	Operation in experiment
92%	With potassium carbonate; In water; N,N-dimethyl-formamide; for 0.0833333h;Irradiation;	General procedure: The ultrasonic probe was immersed directly in the reactor.An ultrasonic generator (sonics VC 505 300 W) emitsthe sound vibration into the reaction mixture. Sonificationwas achieved at low frequencies of 20 kHz (amplitude of50%) at room temperature for 5 min. The aryl halide (1.0mmol), Aryllboronic acid (1.2 mmol) and the catalyst (0.1mol%) are placed in a reactor. Water (1.5 ml) and N,Ndimethylformamide(1.5 ml) are added. After reaction, themixture is extracted (three times) with diethyl ether. Thelatter is dried on MgSO4 and the solvent removed under vacuum.The coupling product is finally isolated by silica gelchromatography. The yields of the reactions were determinedby gas chromatography on a Shimadzu 2014-GC apparatus.The capillary column was DB-5 and the carrier gaswas helium.
86%	With chloro-2,6-bis((sec-butylthio)methyl)pyridinepalladium(II) chloride; tetrabutylammomium bromide; potassium hydroxide; In water; at 120℃; for 2h;Inert atmosphere; Schlenk technique; Sealed tube;	General procedure: A 50-mL Schlenk tube was charged with aryl halide (1.63 mmol), aryl boronic acid (2.61 mmol), KOH (3.26 mmol), complex 17d (0.5 mol %), TBAB (0.5 mol % relative to the aryl halide) and water (2 mL). The sealed mixture was stirred at 120 C until TLC analysis confirmed completion of the reaction (for GC analysis the products were extracted with toluene). The aqueous solution was then extracted with ethyl acetate (3 10 mL). The combined organic phases were dried over MgSO4, filtered and evaporated in vacuo. The residue product was purified by column chromatography on silica gel using a mixture of hexane and ethyl acetate as eluent to yield biaryls 23a-m:
32%	With caesium carbonate; In N,N-dimethyl-formamide; at 70℃; for 6h;Green chemistry;	General procedure: Aryl halides (1 mmol) and phenyl boronic acid (1.2 mmol) were dissolved in a 2 mL DMF solvent, 15 mg of Cu(at)MCOP and followed by Cs2CO3 (2.5 mmol) base subsequently added into the reaction mixture and allowed to stirred at 70 C for about6 h. After completion of the reaction was monitored by TLC analysis, the reactionmixture was diluted with 10 mL of ethyl acetate, after the CuMCOP heterogeneouscatalyst was recovered by simple filtration through using Whatman-40 filterpaper, and the filtered catalyst was used in next cycle. Furthermore, the filtrate solutionwas thoroughly washed with brine solution and extracted with an excess amountof ethyl acetate and then concentrated under reduced pressure. The crude productwas further purified by column chromatography using (petroleum ether/ethyl acetate)to obtain the corresponding biphenyl derivatives (Scheme 2).

With potassium carbonate; In water; for 1h;Reflux;Catalytic behavior;

General procedure: To a mixture of Pd(II)-beta-CD (0.001mol%, based on palladium, 0.23mL from a solution of 1mg in 100mL water, see Table2 for amount of catalyst) in 2mL water was added aryl halide (0.2mmol), arylboronic acid (0.24mmol), and K2CO3 (0.3mmol). The resulting mixture was stirred at reflux for 1-12h (Table2). After cooling, the product was extracted with n-hexane (2×3mL) and dried over Na2SO4. The product was purified by flash chromatography and characterized with 1H and 13CNMR (in CDCl3 and DMSO solvents) to afford biaryls 3a-s in 56-100% yields. All products are known and most of them are commercially available (see supporting information).

Reference： [1]Applied Organometallic Chemistry,2017,vol. 31
[2]Applied Organometallic Chemistry,2019,vol. 33
[3]Letters in Organic Chemistry,2020,vol. 17,p. 36 - 45
[4]Tetrahedron Letters,2008,vol. 49,p. 5858 - 5862
[5]Journal of Materials Chemistry C,2017,vol. 5,p. 7191 - 7199
[6]Beilstein Journal of Organic Chemistry,2018,vol. 14,p. 1859 - 1870
[7]Green Chemistry,2011,vol. 13,p. 1260 - 1266
[8]Organic and Biomolecular Chemistry,2011,vol. 9,p. 1054 - 1060
[9]Research on Chemical Intermediates,2020,vol. 46,p. 681 - 700
[10]Advanced Synthesis and Catalysis,2013,vol. 355,p. 2007 - 2018
[11]European Journal of Organic Chemistry,2013,p. 1253 - 1261
[12]European Journal of Inorganic Chemistry,2014,p. 4199 - 4208,10
[13]ChemPlusChem,2016,vol. 81,p. 471 - 476
[14]Journal of Organometallic Chemistry,2016,vol. 818,p. 195 - 199
[15]Applied Organometallic Chemistry,2019,vol. 33
[16]Advanced Synthesis and Catalysis,2019,vol. 361,p. 3758 - 3767

36
[ 1018955-96-8 ]
[ 29304-89-0 ]
[ 16064-04-3 ]
[ 52988-34-8 ]
[ 118350-17-7 ]

Reference： [1]Helvetica Chimica Acta,2008,vol. 91,p. 559 - 568

37
[ 1018955-96-8 ]
[ 16064-04-3 ]
[ 613-37-6 ]
[ 52988-34-8 ]
[ 118350-17-7 ]

Reference： [1]Helvetica Chimica Acta,2008,vol. 91,p. 559 - 568

38
[ 1072896-39-9 ]
[ 52988-34-8 ]
[ 1072896-75-3 ]

Reference： [1]Journal of Medicinal Chemistry,2008,vol. 51,p. 6665 - 6681

39
[ 141-82-2 ]
[ 52988-34-8 ]
[ 773131-85-4 ]

Reference： [1]Journal of the American Chemical Society,2009,vol. 131,p. 17500 - 17521

40
[ 1264696-92-5 ]
[ 1122-91-4 ]
[ 52988-34-8 ]

Reference： [1]European Journal of Organic Chemistry,2011,p. 143 - 149

41
[ 79452-83-8 ]
[ 1122-91-4 ]
[ 52988-34-8 ]

Yield	Reaction Conditions	Operation in experiment
100%	With bis-triphenylphosphine-palladium(II) chloride; potassium phosphate; copper(l) iodide; triphenylphosphine; In water; N,N-dimethyl-formamide; at 100℃; for 1h;Inert atmosphere;	General procedure: aryldioxazaboracane (1.2 equiv), arylbromide (1 equiv) PdCl2(PPh3)2 (5 mol %), PPh3 (10 mol %) and copper iodide (10 mol %) in a 4:1 DMF/water mixture (0.2 mmol/mL) under Argon are brought to 100 C until no more aryl bromide is detected. After cooling to RT, water and Et2O are added. The organic and aqueous phases are separated, the aqueous phase is then extracted with ether, and the organic phase is washed with brine, then dried over MgSO4, and filtered. After evaporation the residue is purified by flash column chromatography.

Reference： [1]Tetrahedron Letters,2011,vol. 52,p. 1132 - 1135

42
[ 104-92-7 ]
[ 52988-34-8 ]

Reference： [1]Tetrahedron Letters,2011,vol. 52,p. 1132 - 1135

43
phenyl(triphenyl-λ5-phosphanyl)gold [ No CAS ]
[ 127591-24-6 ]
[ 1122-91-4 ]
[ 52988-34-8 ]
[ 3218-36-8 ]

Reference： [1]Organometallics,2011,vol. 30,p. 1299 - 1302

44
[ 127591-24-6 ]
[ 1130440-65-1 ]
[ 1122-91-4 ]
[ 52988-34-8 ]
[ 90035-34-0 ]

Reference： [1]Organometallics,2011,vol. 30,p. 1299 - 1302

45
[ 127591-24-6 ]
[ 1122-91-4 ]
[ 52988-34-8 ]

Reference： [1]Organometallics,2011,vol. 30,p. 1299 - 1302

46
[ 867-13-0 ]
[ 52988-34-8 ]
ethyl (Z)-3-(p-methoxy-4',4"-biphenyl)acrylate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
74.4%		Intermediate 157: Ethyl (2Z)-3-(4'-methoxybiphenyl-4-yl) prop-2-enoateTo a stirring suspension of NaH (0.14 g, 5.8 mmol) in dry THF (10 ml.) at 0 C was added Triethyl phosphonoacetate (1.3 g, 5.8 mmol) slowly and stirred for 30 min then added 4'-methoxybiphenyl-4-carbaldehyde (1 g, 4.7 mmol) dissolved in THF and stirred at RT for overnight. RM quenched with ice and diluted with ethyl acetate, organic layer was washed with water and brine, dried over anhydrous sodium sulphate and concentrated to afford title compound as white solid (1 g, Yield: 74.4%): 1H NMR (300MHz, CDCI3): delta 7.47-7.61 (m, 8H), 6.90-6.93(d, 2H), 4.17-4.24(m, 2H), 3.78(s, 3H), 1.25-1.30(t, 3H).

Reference： [1]Patent: WO2012/11125,2012,A1 .Location in patent: Page/Page column 187-188

47
[ 52988-34-8 ]
ethyl 3-(4'-methoxy-4-biphenylyl)propionate [ No CAS ]

Reference： [1]Patent: WO2012/11125,2012,A1

48
[ 52988-34-8 ]
[ 1356599-71-7 ]

Reference： [1]Patent: WO2012/11125,2012,A1

49
[ 52988-34-8 ]
[ 1356602-19-1 ]

Reference： [1]Patent: WO2012/11125,2012,A1

50
[ 52988-34-8 ]
[ 1356602-22-6 ]

Reference： [1]Patent: WO2012/11125,2012,A1

51
[ 3731-51-9 ]
[ 119072-55-8 ]
[ 52988-34-8 ]
[ 100-09-4 ]
[ 1364814-28-7 ]

Yield	Reaction Conditions	Operation in experiment
70%		General procedure: Members of the library were synthesized using an Ugi multi-component reaction1,2 previously reported by our group 3. Briefly, a round bottom flask was charged with amine (1 molar equivalent) and aldehyde (0.5 molar equivalent) in CHCl3 (1 ml) and stirred at room temperature for one hour, followed by the addition of isocyanide (1 molar equivalent) and carboxylic acid (1 molar equivalent) sequentially. The flask was then heated to 75 C and stirred at the same temperature overnight. The entire reaction was then loaded onto silica gel and eluted first with CHCl3 to remove unreacted isocyanide followed by CHCl3:MeOH (20:1) to elute the Ugi product. All products were analyzed by 1H NMR, 13C NMR and high resolution mass spectrometry (HRMS). The synthesis of several compounds that was not described in our previous reports is described below.

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2012,vol. 22,p. 2043 - 2045

52
[ 119072-55-8 ]
[ 1078-61-1 ]
[ 52988-34-8 ]
[ 75-64-9 ]
[ 1364814-24-3 ]

Yield	Reaction Conditions	Operation in experiment
65%		General procedure: Members of the library were synthesized using an Ugi multi-component reaction1,2 previously reported by our group 3. Briefly, a round bottom flask was charged with amine (1 molar equivalent) and aldehyde (0.5 molar equivalent) in CHCl3 (1 ml) and stirred at room temperature for one hour, followed by the addition of isocyanide (1 molar equivalent) and carboxylic acid (1 molar equivalent) sequentially. The flask was then heated to 75 C and stirred at the same temperature overnight. The entire reaction was then loaded onto silica gel and eluted first with CHCl3 to remove unreacted isocyanide followed by CHCl3:MeOH (20:1) to elute the Ugi product. All products were analyzed by 1H NMR, 13C NMR and high resolution mass spectrometry (HRMS). The synthesis of several compounds that was not described in our previous reports is described below.

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2012,vol. 22,p. 2043 - 2045

53
[ 696-62-8 ]
[ 98-80-6 ]
[ 52988-34-8 ]

Reference： [1]European Journal of Organic Chemistry,2012,p. 2635 - 2642

54
[ 52988-34-8 ]
[ 120-92-3 ]
[ 1380049-03-5 ]
C₁₉H₂₀O₃ [ No CAS ]

Reference： [1]European Journal of Organic Chemistry,2012,p. 2635 - 2642

55
[ 52988-34-8 ]
[ 105-56-6 ]
[ 1380049-16-0 ]

Reference： [1]European Journal of Organic Chemistry,2012,p. 2635 - 2642
[2]Chinese Journal of Chemistry,2012,vol. 30,p. 1543 - 1547

56
[ 52988-34-8 ]
[ 109-77-3 ]
[ 143110-07-0 ]

Reference： [1]Inorganic Chemistry Communications,
[2]European Journal of Organic Chemistry,2012,p. 2635 - 2642
[3]Chinese Journal of Chemistry,2012,vol. 30,p. 1543 - 1547

57
[ 4318-37-0 ]
[ 52988-34-8 ]
1-((4'-methoxy-[1,1'-biphenyl]-4-yl)methyl)-4-methyl-1,4-diazepane [ No CAS ]

Reference： [1]Journal of Medicinal Chemistry,2016,vol. 59,p. 671 - 686

58
[ 1639-31-2 ]
[ 52988-34-8 ]
[ 762-04-9 ]
C₂₇H₃₄NO₄P [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
70%		General procedure: A solution of compound 3 (1 mmol) and amine (1 mmol) in toluene (10 mL) was refluxed for 3 h. Then diethylphosphite (4 mmol) was added to the reaction solution and refluxed for 6 ? 12 h. The crude product was afforded through removing the solvent and purified by column chromatography on silica gel using petroleum ether / ethyl acetate system to obtain the target compounds 4a ? 4s.

Reference： [1]Letters in drug design and discovery,2016,vol. 13,p. 706 - 714

59
[ 2403-53-4 ]
[ 5720-07-0 ]
[ 52988-34-8 ]

Yield	Reaction Conditions	Operation in experiment
61%		General procedure: In a stream of nitrogen, into a 15 mL screw vial, a stirrer, 92 mg (0.60 mmol) of 4-nitroanisole, 110 mg (0.90 mmol) of phenylboronic acid, 9.1 mg (0.030 mmol) of palladium(II) acetylacetonate, 64 mg (0.12 mmol) of 2-dicyclohexylphosphino-3,6-dimethoxy-2?,4?,6?-triisopropylbiphenyl, 480 mg (1.8 mmol) of tripotassium phosphate n-hydrate, 16 mg (0.060 mmol) of 18-crown-6 and 3 mL of 1,4-dioxane were added. The vial was tightly covered with a lid, followed by stirring with heating at 130 C. for 24 hours. Then, the reaction liquid was cooled to room temperature. Methylene chloride was added to the reaction liquid, and the reaction liquid was subjected to filtration through celite. The filtrate was concentrated, and the obtained residue was dissolved in diethyl ether (20 mL) and mixed with a 30% aqueous hydrogen peroxide solution (5 mL). The solution was stirred at room temperature for one hour, and washed with distilled water (10 mL) and a saturated aqueous iron(II) sulfate solution (10 mL). After extraction with diethyl ether (20 mL×3), the collected organic layer was washed with a saturated aqueous salt solution (10 mL). The organic layer was dried over anhydrous magnesium sulfate and concentrated, and the obtained residue was purified by medium pressure column chromatography (Biotage SNAP Ultra column (particle size: 25 mum), developing solvent: hexane/ethyl acetate) to obtain 84 mg (yield: 76%) of the desired 4-methoxybiphenyl as a white powder.

Reference： [1]Patent: US2018/118646,2018,A1 .Location in patent: Paragraph 0038; 0075; 0076; 0077; 0152

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P333 + P313	IF SKIN irritation or rash occurs: Get medical advice/attention.
P335 + P334	Brush off loose particles from skin. Immerse in cool water/wrap in wet bandages.
P337 + P313	IF eye irritation persists: Get medical advice/attention.
P342 + P311	IF experiencing respiratory symptoms: call a POISON CENTER or doctor/physician.
P370 + P376	In case of fire: Stop leak if safe to Do so.
P370 + P378	In case of fire:
P370 + P380	In case of fire: Evacuate area.
P370 + P380 + P375	In case of fire: Evacuate area. Fight fire remotely due to the risk of explosion.
P371 + P380 + P375	In case of major fire and large quantities: Evacuate area. Fight fire remotely due to the risk of explosion.
Storage
Code	Phrase
P401
P402	Store in a dry place.
P403	Store in a well-ventilated place.
P404	Store in a closed container.
P405	Store locked up.
P406	Store in corrosive resistant/ container with a resistant inner liner.
P407	Maintain air gap between stacks/pallets.
P410	Protect from sunlight.
P411
P412	Do not expose to temperatures exceeding 50 oC/ 122 oF.
P413
P420	Store away from other materials.
P422
P402 + P404	Store in a dry place. Store in a closed container.
P403 + P233	Store in a well-ventilated place. Keep container tightly closed.
P403 + P235	Store in a well-ventilated place. Keep cool.
P410 + P403	Protect from sunlight. Store in a well-ventilated place.
P410 + P412	Protect from sunlight. Do not expose to temperatures exceeding 50 oC/122oF.
P411 + P235	Keep cool.
Disposal
Code	Phrase
P501	Dispose of contents/container to ...
P502	Refer to manufacturer/supplier for information on recovery/recycling

Purity	Size	Price	VIP Price	USA Stock *0-1 Day	Global Stock *5-7 Days	Quantity
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Physical hazards
Code	Phrase
H200	Unstable explosive
H201	Explosive; mass explosion hazard
H202	Explosive; severe projection hazard
H203	Explosive; fire, blast or projection hazard
H204	Fire or projection hazard
H205	May mass explode in fire
H220	Extremely flammable gas
H221	Flammable gas
H222	Extremely flammable aerosol
H223	Flammable aerosol
H224	Extremely flammable liquid and vapour
H225	Highly flammable liquid and vapour
H226	Flammable liquid and vapour
H227	Combustible liquid
H228	Flammable solid
H229	Pressurized container: may burst if heated
H230	May react explosively even in the absence of air
H231	May react explosively even in the absence of air at elevated pressure and/or temperature
H240	Heating may cause an explosion
H241	Heating may cause a fire or explosion
H242	Heating may cause a fire
H250	Catches fire spontaneously if exposed to air
H251	Self-heating; may catch fire
H252	Self-heating in large quantities; may catch fire
H260	In contact with water releases flammable gases which may ignite spontaneously
H261	In contact with water releases flammable gas
H270	May cause or intensify fire; oxidizer
H271	May cause fire or explosion; strong oxidizer
H272	May intensify fire; oxidizer
H280	Contains gas under pressure; may explode if heated
H281	Contains refrigerated gas; may cause cryogenic burns or injury
H290	May be corrosive to metals
Health hazards
Code	Phrase
H300	Fatal if swallowed
H301	Toxic if swallowed
H302	Harmful if swallowed
H303	May be harmful if swallowed
H304	May be fatal if swallowed and enters airways
H305	May be harmful if swallowed and enters airways
H310	Fatal in contact with skin
H311	Toxic in contact with skin
H312	Harmful in contact with skin
H313	May be harmful in contact with skin
H314	Causes severe skin burns and eye damage
H315	Causes skin irritation
H316	Causes mild skin irritation
H317	May cause an allergic skin reaction
H318	Causes serious eye damage
H319	Causes serious eye irritation
H320	Causes eye irritation
H330	Fatal if inhaled
H331	Toxic if inhaled
H332	Harmful if inhaled
H333	May be harmful if inhaled
H334	May cause allergy or asthma symptoms or breathing difficulties if inhaled
H335	May cause respiratory irritation
H336	May cause drowsiness or dizziness
H340	May cause genetic defects
H341	Suspected of causing genetic defects
H350	May cause cancer
H351	Suspected of causing cancer
H360	May damage fertility or the unborn child
H361	Suspected of damaging fertility or the unborn child
H361d	Suspected of damaging the unborn child
H362	May cause harm to breast-fed children
H370	Causes damage to organs
H371	May cause damage to organs
H372	Causes damage to organs through prolonged or repeated exposure
H373	May cause damage to organs through prolonged or repeated exposure
Environmental hazards
Code	Phrase
H400	Very toxic to aquatic life
H401	Toxic to aquatic life
H402	Harmful to aquatic life
H410	Very toxic to aquatic life with long-lasting effects
H411	Toxic to aquatic life with long-lasting effects
H412	Harmful to aquatic life with long-lasting effects
H413	May cause long-lasting harmful effects to aquatic life
H420	Harms public health and the environment by destroying ozone in the upper atmosphere

[ CAS No. 52988-34-8 ]

Quality Control of [ 52988-34-8 ]

Related Doc. of [ 52988-34-8 ]

Product Details of [ 52988-34-8 ]

Calculated chemistry of [ 52988-34-8 ]

Physicochemical Properties

Pharmacokinetics

Lipophilicity

Druglikeness

Water Solubility

Medicinal Chemistry

Safety of [ 52988-34-8 ]

Application In Synthesis of [ 52988-34-8 ]

[ 52988-34-8 ] Synthesis Path-Upstream 1~2

[ 52988-34-8 ] Synthesis Path-Downstream 1~59

Related Functional Groups of [ 52988-34-8 ]

Aryls

Aldehydes

Ethers

Precautionary Statements-General

Prevention

Response

Storage

Disposal

Physical hazards

Health hazards

Environmental hazards

Inquiry

Related Functional Groups of
[ 52988-34-8 ]