[ CAS No. 7787-70-4 ]

Name: 7787-70-4|Copper(I) bromide|99.5%
Brand: Ambeed
SKU: A381261
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Quality Control of [ 7787-70-4 ]

COA NMR CNMR HPLC LC-MS

Related Doc. of [ 7787-70-4 ]

SDS Specification

Alternatived Products of [ 7787-70-4 ]

Product Details of [ 7787-70-4 ]

CAS No. :	7787-70-4	MDL No. :	MFCD00010969
Formula :	BrCu	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	NKNDPYCGAZPOFS-UHFFFAOYSA-M
M.W :	143.45 g/mol	Pubchem ID :	24593
Synonyms :

Calculated chemistry of [ 7787-70-4 ]

Physicochemical Properties

Num. heavy atoms :	2
Num. arom. heavy atoms :	0
Fraction Csp3 :	None
Num. rotatable bonds :	0
Num. H-bond acceptors :	None
Num. H-bond donors :	None
Molar Refractivity :	8.93
TPSA :	0.0 Å²

Pharmacokinetics

GI absorption :	None
BBB permeant :	None
P-gp substrate :	None
CYP1A2 inhibitor :	None
CYP2C19 inhibitor :	None
CYP2C9 inhibitor :	None
CYP2D6 inhibitor :	None
CYP3A4 inhibitor :	None
Log Kp (skin permeation) :	None cm/s

Lipophilicity

Log Po/w (iLOGP) :	None
Log Po/w (XLOGP3) :	None
Log Po/w (WLOGP) :	None
Log Po/w (MLOGP) :	None
Log Po/w (SILICOS-IT) :	None
Consensus Log Po/w :	None

Druglikeness

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

Water Solubility

Log S (ESOL) :	None
Solubility :	None mg/ml ; None mol/l
Class :	None
Log S (Ali) :	None
Solubility :	None mg/ml ; None mol/l
Class :	None
Log S (SILICOS-IT) :	None
Solubility :	None mg/ml ; None mol/l
Class :	None

Medicinal Chemistry

PAINS :	None alert
Brenk :	None alert
Leadlikeness :	None
Synthetic accessibility :	None

Safety of [ 7787-70-4 ]

Signal Word:	Danger	Class:	9
Precautionary Statements:	P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P310-P330-P362+P364-P403+P233-P501	UN#:	3077
Hazard Statements:	H302-H315-H318-H335-H410	Packing Group:	Ⅲ
GHS Pictogram:

Application In Synthesis of [ 7787-70-4 ]

* 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 [ 7787-70-4 ]
Downstream synthetic route of [ 7787-70-4 ]

[ 7787-70-4 ] Synthesis Path-Upstream 1~15

1
[ 136-95-8 ]
[ 7787-70-4 ]
[ 2516-40-7 ]

Yield	Reaction Conditions	Operation in experiment
57%	With tert.-butylnitrite In hydrogenchloride; hexane; ethyl acetate; acetonitrile	(Step 1) Synthesis of 2-bromobenzothiazole Copper (I) bromide (1.93 g, 13.5 mmol) was suspended in acetonitrile (30 ml). To the resulting suspension was added tert-butyl nitrite (2.00 ml, 16.8 mmol) and the mixture was stirred at 60OEC for 15 minutes. To the reaction mixture was added 2-aminobenzothiazole (1.68 g, 11.2 mmol) and the mixture was stirred at 60OEC for 1 hour. After cooling, the reaction mixture was poured in 1N HCl, followed by extraction with ethyl acetate. The extract was washed with saturated brine, dried over anhydrous sodium sulfate, and distilled under reduced pressure to remove the solvent. The residue was purified by chromatography on a silica gel column, whereby from n-hexane/ ethyl acetate (7:1, v/v) eluate fractions, 2-bromobenzothiazole (1.36 g, 57percent) was obtained as a brown oil. ¹H-NMR (CDCl₃) δ: 7.39-7.51 (m, 2H), 7.77-7.82 (m, 1H), 7.94-8.00 (m, 1H).

Reference： [1] Patent: EP1346982, 2003, A1,

2
[ 142-71-2 ]
[ 68683-04-5 ]
[ 7787-70-4 ]
[ 10200-43-8 ]

Reference： [1] Patent: US6306864, 2001, B1,

3
[ 95-24-9 ]
[ 7787-70-4 ]
[ 3507-17-3 ]

Yield	Reaction Conditions	Operation in experiment
69%	With tert.-butylnitrite In hexane; ethyl acetate; acetonitrile	(Step 1) Synthesis of 2-bromo-6-chlorobenzothiazole Copper (I) bromide (1.40 g, 9.76 mmol) was suspended in acetonitrile (25 ml). To the resulting suspension was added tert-butyl nitrite (1.45 ml, 12.2 mmol) and the mixture was stirred at 60OEC for 15 minutes. To the reaction mixture was added 2-amino-6-chlorobenzothiazole (1.50 g, 8.12 mmol), followed by stirring at 60OEC for 30 minutes. After cooling, the reaction mixture was diluted with ethyl acetate. The ethyl acetate solution was washed with 1N HCl and saturated brine, dried over anhydrous sodium sulfate, and distilled under reduced pressure to remove the solvent. The residue was purified by chromatography on a silica gel column, whereby from n-hexane/ethyl acetate (7:1, v/v) eluate fractions, 2-bromo-6-chlorobenzothiazole (1.39 g, 69percent) was obtained as a yellow solid. ¹H-NMR (CDCl₃) δ: 7.42-7.46 (m, 1H), 7.76-7.90 (m, 2H).

Reference： [1] Patent: EP1346982, 2003, A1,

4
[ 19952-47-7 ]
[ 7787-70-4 ]
[ 3622-40-0 ]

Reference： [1] Patent: EP1346982, 2003, A1,

5
[ 19952-47-7 ]
[ 7787-70-4 ]
[ 3622-40-0 ]

Reference： [1] Patent: US5371093, 1994, A,

6
[ 7787-70-4 ]
[ 587-02-0 ]
[ 2725-82-8 ]

Yield	Reaction Conditions	Operation in experiment
40%	With sodium nitrite In sulfuric acid; hydrogen bromide	Reference Example G 1 1-bromo-3-ethylbenzene To a solution of 3-ethylaniline (10.0 g, 82.5 mmol) in 50percent sulfuric acid (43.6g) was added dropwise an aqueous solution (16.5 mL) of sodium nitrite (6.83 g, 99.0 mmol) over 30 minutes at 0°C. The resulting reaction mixture was stirred for 45 minutes at 0°C. This diazonium salt solution was added dropwise to a solution of copper (I) bromide (12.4g, 86.6mmol)in a 48percent hydrobromic acid (82.5 mL) while heating gently under reflux. After the addition, the reaction mixture was heated to reflux for 30 minutes. The reaction mixture was cooled to room temperature, and extracted with ether. The extracts were sequentially washed with a 1N-aqueous sodium hydroxide solution and brine, and filtrated, dried, and concentrated. The residue was purified by silica gel column chromatography (hexane-ethyl acetate=20:1) to obtain the title compound (6.13g, yield 40percent). oil ¹H-NMR (CDCl₃) δ: 1.23 (3H, t, J= 7.5 Hz), 2.63 (2H, q, J= 7.5 Hz), 7.11-7.20 (2H, m), 7.28-7.38 (2H, m).

Reference： [1] Patent: EP1402900, 2004, A1,

7
[ 587-02-0 ]
[ 7787-70-4 ]
[ 2725-82-8 ]

Yield	Reaction Conditions	Operation in experiment
40%	With sodium nitrite In sulfanic acid; hydrogen bromide	Reference Example 1 1-bromo-3-ethylbenzene To a solution of 3-ethylaniline (10.0 g, 82.5 mmol) in 50percent sulfanic acid (43.6 g) was added dropwise an aqueous solution (16.5 mL) of sodium nitrite (6.83 g, 99.0 mmol) over 30 minutes at 0° C. The resulting reaction mixture was stirred for 45 minutes at 0° C. This diazonium salt solution was added dropwise to a solution of copper (I) bromide (12.4 g, 86.6 mmol) in a 48percent hydrobromic acid (82.5 mL) while heating gently under reflux. After the addition, the reaction mixture was heated to reflux for 30 minutes. The reaction mixture was cooled to room temperature, and extracted with ether. The extracts were sequentially washed with a 1N-aqueous sodium hydroxide solution and brine, and filtrated, dried, and concentrated. The residue was purified by silica gel column chromatography (hexane-ethyl acetate=20:1) to obtain a title compound (6.13 g, yield 40percent). Oil ¹H-NMR (CDCl₃) δ: 1.23 (3H, t, J=7.5 Hz), 2.63 (2H, q, J=7.5 Hz), 7.11-7.20 (2H, m), 7.28-7.38 (2H, m).

Reference： [1] Patent: US2004/53973, 2004, A1,

8
[ 58728-64-6 ]
[ 7787-70-4 ]
[ 92616-49-4 ]

Reference： [1] Patent: US2004/122001, 2004, A1,

9
[ 2564-83-2 ]
[ 7787-70-4 ]
[ 309752-65-6 ]
[ 78119-82-1 ]

Reference： [1] Patent: EP1186588, 2002, A1,

10
[ 1747-60-0 ]
[ 7787-70-4 ]
[ 2941-58-4 ]

Reference： [1] Patent: US5371093, 1994, A,

11
[ 348-40-3 ]
[ 7787-70-4 ]
[ 152937-04-7 ]

Yield	Reaction Conditions	Operation in experiment
40%	With tert.-butylnitrite In hexane; ethyl acetate; acetonitrile	(Step 1) Synthesis of 2-bromo-6-fluorobenzothiazole Copper (I) bromide (619 mg, 4.32 mmol) was suspended in acetonitrile (10 ml). To the resulting suspension was added tert-butyl nitrite (640 ael, 5.38 mmol), followed by stirring at 60OEC for 5 minutes. To the reaction mixture was added 2-amino-6-fluorobenzothiazole (605 mg, 3.60 mmol). The resulting mixture was stirred at 60OEC for 10 minutes. After cooling to the room temperature, the reaction mixture was diluted with ethyl acetate. The ethyl acetate solution was washed with 1N HCl, saturated brine, dried over anhydrous sodium sulfate, and distilled under reduced pressure to remove the solvent. The residue was purified by chromatography on a silica gel column, whereby from n-hexane/ ethyl acetate (5:1, v/v) eluate fractions, 2-bromo-6-fluorobenzothiazole (330 mg, 40percent) was obtained as a brown solid. ¹H-NMR (CDCl₃) δ: 7.19-7.24 (m, 1H), 7.49-7.52 (m, 1H), 7.92-7.96 (m, 1H). MS (ESI) m/z 273.8 (M⁺+1+MeCN).

Reference： [1] Patent: EP1346982, 2003, A1,
[2] Patent: US5371093, 1994, A,

12
[ 7787-70-4 ]
[ 259860-00-9 ]
[ 224185-19-7 ]

Yield	Reaction Conditions	Operation in experiment
50%	With sodium nitrite In water; hydrogen bromide	3-Bromo-4-fluoro-6-methylnitrobenzene A solution of sodium nitrite (7.6 g, 110 mmol) in water (30 mL) was added dropwise over 15 min to a stirred suspension of 2-fluoro-4-methyl-5-nitroaniline (17 g, 100 mmol) in hydrobromic acid, (48percent, 150 mL) and water (30 mL) at 0° C. The mixture was stirred at 0° C. for 15 min then added portionwise over 10 min to a stirred suspension of copper(I)bromide (16.5 g, 112 mmol) in hydrobromic acid (48percent, 50 mL) and water (90 mL) at 0° C. The mixture was stirred at 0° C. for 30 min then warmed to room temperature and stirred for 3 h. The mixture was poured onto ice-water (500 mL) and extracted with ethyl acetate (3*). The combined organic extracts were washed with saturated aqueous sodium bicarbonate solution, dried (magnesium sulfate), concentrated in vacuo and purified by column chromatography [SiO₂; heptane-ethyl acetate (19:1)] to give the product (11.8 g, 50percent) as an off-white solid: IR ν_max (nujol)/cm^-1 2925, 2855, 1571, 1523, 1478, 1349, 1264, 1103, 895, 671 and 589; NMR δ_H (400 MHz, CDCl₃) 8.27 (1H, d, J 6.5), 7.10 (1H, d, J 9.1), 2.60 (3H, s).

Reference： [1] Patent: US6380238, 2002, B1,

13
[ 63069-50-1 ]
[ 7787-70-4 ]
[ 133059-44-6 ]

Reference： [1] Patent: US5200110, 1993, A,

14
[ 110301-23-0 ]
[ 7787-70-4 ]
[ 123688-59-5 ]

Reference： [1] Patent: US5200110, 1993, A,
[2] Patent: US5030382, 1991, A,
[3] Patent: US4883609, 1989, A,

15
[ 64628-73-5 ]
[ 7787-70-4 ]
[ 95668-21-6 ]

Reference： [1] Patent: US6323155, 2001, B1,

[ 7787-70-4 ] Synthesis Path-Downstream 1~59

1
[ 20196-21-8 ]
[ 20555-91-3 ]
[ 7787-70-4 ]
[ 205683-35-8 ]

Yield	Reaction Conditions	Operation in experiment
	In ethyl acetate; N,N-dimethyl-formamide;	Preparation 4 4-(3,4-Dichlorophenyl)-<strong>[20196-21-8]thiomorpholin-3-one</strong> Under a nitrogen atmosphere in a flame-dried flask, sodium hydride (72 mg, 1.79 mmol, 60% oil dispersion) was washed with hexanes and then treated with 6 mL of anhydrous DMF, and cooled to 0 C. <strong>[20196-21-8]Thiomorpholin-3-on</strong>e (200 mg, 1.71 mmol) was added in one portion with stirring. After gas evolution had stopped (ca. 30 min), 4-iodo-1,2-dichlorobenzene (700 mg, 2.56 mmol) was added, followed after 5 minutes by copper (I) bromide (490 mg, 3.42 mmol). After heating at 75 C. overnight, the mixture was partitioned between ethyl acetate and 1N lithium chloride, filtered through diatomaceous earth and combined with additional ethyl acetate washes of the diatomaceous earth filter cake. The organic layers were washed with additional 1N lithium chloride, brine (saturated sodium chloride) and dried over calcium sulfate (CaSO4). Concentration in vacuo gave 363 mg of light brown oil which was flash chromatographed (30-50% ethyl acetate in hexanes) to give a white solid, 108 mg. 1H-NMR (CDCl3, 400 MHz) d 7.44 (1H, d), 7.37 (1H, s), 7.12 (1H, dd), 3.93 (2H, t), 3.43 (2H, s), 3.01 (2H, t).

Reference： [1]Patent: US2002/49214,2002,A1

2
ethyl 2-methyloxaxoline-4-carboxylate [ No CAS ]
[ 142-71-2 ]
[ 68683-04-5 ]
[ 7787-70-4 ]
[ 10200-43-8 ]

Yield	Reaction Conditions	Operation in experiment
4.27 g (69%)	In benzene;	Preparation 70 2-METHYLOXAZOLE-4-CARBOXALDEHYDE Ethyl 2-methyloxazoline-4-carboxylate was prepared according to the published procedure (Heterocycles 1976, 4, 1688). To an ambient temperature solution of ethyl 2-methyloxaxoline-4-carboxylate (6.28 g, 40 mmol) in benzene (300 mL) was added copper (I) bromide (6.31 g, 44 mmol) and then copper (II) acetate (7.99 g, 44 mmol). To this mixture was added tertiary butyl perbenzoate (11.4 mL, 60 mmol) dropwise over 15 min and the reaction warmed slightly to the touch. The black mixture was refluxed 24 h, cooled to ambient temperature and filtered through a celite pad (ether rinse). The filtrate was washed with aqueous ammonium chloride, water and brine, then it was dried over sodium sulfate and concentrated. The tan residue was purified by flash chromatography on silica gel (80 g) eluding with 40% ethyl acetate/hexane. After a 100 mL forerun, 20 mL fractions were collected. Fractions 11-22 were collected and concentrated to afford 4.27 g (69%) of ethyl 2-methyloxazole-4-carboxylate as a yellow oil which had: NMR delta 8.04 (s, 1 H), 4.32 (q, J=7 Hz, 2 H), 2.46 (s, 3 H), 1.33 (t, J=7 Hz, 3 H).

Reference： [1]Patent: US6306864,2001,B1

3
[ 936-08-3 ]
[ 7787-70-4 ]
4-chloro-2-(N-methylsulphonylamino)benzoic acid [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
		4-chloro-2-(N-methylsulphonylamino)benzoic acid, m.p. 188-192° C. from <strong>[936-08-3]2-bromo-4-chlorobenzoic acid</strong>, employing copper (I) bromide and methanesulphonamide and 3 equivalents of sodium hydride;

Reference： [1]Patent: US6323155,2001,B1

4
[ 936-08-3 ]
[ 7787-70-4 ]
[ 158581-00-1 ]

Yield	Reaction Conditions	Operation in experiment
		4-chloro-2-(N-methoxy-N-methylsulphonyl)aminobenzoic acid, m.p. 159-160° C. from <strong>[936-08-3]2-bromo-4-chlorobenzoic acid</strong> employing copper (I) bromide and N-methoxy-methanesulphonamide.

Reference： [1]Patent: US6323155,2001,B1

5
[ 64628-73-5 ]
[ 7787-70-4 ]
4-bromo-2-chloro-1-trifluoromethoxybenzene [ No CAS ]
[ 95668-21-6 ]

Yield	Reaction Conditions	Operation in experiment
	With hydrogen bromide; sodium nitrite; In sulfuric acid; water; acetic acid;	Reference Example 24 A solution of <strong>[64628-73-5]3-chloro4-trifluoromethoxyaniline</strong> (5.1 g) in acetic acid (31 ml) was stirred and treated with sodium nitrite (2.16 g) in concentrated sulphuric acid (14 ml) at below 18 C. After an additional 1 hour at 10 C., the solution was added to a mixture of copper (I) bromide (7.7 g) and hydrobromic acid (24.5 ml) in water at 40-50 C. The reaction was completed by heating at 50 C. for 2 hours, water was added and the mixture filtered. The filtrate was extracted with ether, washed with sodium bicarbonate, dried (magnesium sulphate) and evaporated to give 3-chloro-4-trifluoromethoxy-bromobenzene (6.05 g) as a brown oil, NMR (CDCl3) 7.10(m,1H), 7.35(m,1H), 7.55(d,1H). By proceeding in a similar manner 2-nitro-4-trifluoromethoxy-bromobenzene was prepared, NMR (CDCl3) 7.35(m,1H), 7.75(m,1H), 7.8(d,1H).

Reference： [1]Patent: US6323155,2001,B1

6
[ 110301-23-0 ]
[ 7787-70-4 ]
[ 123688-59-5 ]

Yield	Reaction Conditions	Operation in experiment
	With sulfuric acid; sodium nitrite; In methanol; hydrogen bromide; acetic acid; acetone;	Step 9 While stirring 420 cm3 of concentrated sulfuric acid on an ice water bath, 54 g (0.78 mol) of finely pulverized NaNO2 was added at a rate which maintained the temperature below 40 C. The mixture was stirred on a warm water bath at 50 C. until the crystals were completely dissolved. The solution was stirred on an ice water bath and 700 cm3 of glacial acetic acid was added drop-wise. 108 g (0.70 mol) of 4-amino-3,5-difluorobenzonitrile was added at a rate which maintained the temperature at 20-25 C. and the mixture was stirred at that temperature until the crystals were completely dissolved to form the corresponding diazonium salt. An aqueous solution of the diazonium salt was added drop-wise for 2 hours to a solution of 143 g (1.0 mol) of copper (I) bromide dissolved in 420 cm3 of 47% hydrobromic acid while stirring on an ice water bath. The resulting solution was stirred for one hour on an ice water bath and allowed to sit overnight at room temperature. The product was filtered, washed with glacial acetic acid and recrystallized from a solvent mixture of acetone and methanol to yield 98 g (0.45 mol) of 4-bromo-3,5-difluorobenzonitrile.
	With hydrogen bromide; acetic acid; sodium nitrite; In methanol; water; acetone;	Step 3 24 g of sodium nitrite was added to 180 ml of concentrated sulfuric acid cooled to a temperature of at least 10 C. 38 ml of acetic acid was added to the mixture. 53 g of 4-cyano-2,6difluoroaniline was added gradually to keep the temperature of the solution between about 20and 25 C. The mixture was stirred at 20-25 C. for one hour. A solution was prepared by dissolving 60 g of copper (I) bromide in 180 ml of an aqueous 48% solution of hydrobromic acid. The mixture was added drop-wise to the solution and the solution was stirred at room temperature for 15 hours. Water was added to the solution, and the solution was extracted with chloroform and washed with water. The chloroform in the aqueous layer was distilled off and the residue was recrystallized from a solution mixture of methanol and acetone, to yield 25 g of 2-bromo-5-cyano-1,3-difluorobenzene.
	With sulfuric acid; acetic acid; In concentrated hydrobromic acid; water;	Step 4 4 g of sodium nitride was added to 30 ml of concentrated sulfuric acid and chilled to a temperature of 10 C. and 38 ml of acetic acid was added thereto. 8.9 ml of 4-cyano-2,6-difluoroaniline was added gradually to maintain the solution at a temperature of 20 to 25 C. The reaction mixture was added dropwise to a solution a 10 g of copper (I) bromide dissolved in 30 ml of concentrated hydrobromic acid. After the dropwise addition was completed, the reaction mixture was stirred for one and one half hours at room temperature. Water was added to the reaction mixture, the reaction mixture was extracted with chloroform and washed with water. The organic layer was removed by distillation, and the residue was recrystallized with a mixture of methanol and acetone to yield 6.6 g of 2-bromo-5-cyano-1,3-difluorobenzene.

Reference： [1]Patent: US5200110,1993,A
[2]Patent: US5030382,1991,A
[3]Patent: US4883609,1989,A

7
[ 348-40-3 ]
[ 7787-70-4 ]
[ 152937-04-7 ]

Yield	Reaction Conditions	Operation in experiment
40%	With tert.-butylnitrite; In hexane; ethyl acetate; acetonitrile;	(Step 1) Synthesis of 2-bromo-6-fluorobenzothiazole Copper (I) bromide (619 mg, 4.32 mmol) was suspended in acetonitrile (10 ml). To the resulting suspension was added tert-butyl nitrite (640 ael, 5.38 mmol), followed by stirring at 60ØC for 5 minutes. To the reaction mixture was added 2-amino-6-fluorobenzothiazole (605 mg, 3.60 mmol). The resulting mixture was stirred at 60ØC for 10 minutes. After cooling to the room temperature, the reaction mixture was diluted with ethyl acetate. The ethyl acetate solution was washed with 1N HCl, saturated brine, dried over anhydrous sodium sulfate, and distilled under reduced pressure to remove the solvent. The residue was purified by chromatography on a silica gel column, whereby from n-hexane/ ethyl acetate (5:1, v/v) eluate fractions, 2-bromo-6-fluorobenzothiazole (330 mg, 40%) was obtained as a brown solid. 1H-NMR (CDCl3) delta: 7.19-7.24 (m, 1H), 7.49-7.52 (m, 1H), 7.92-7.96 (m, 1H). MS (ESI) m/z 273.8 (M++1+MeCN).
	With sodium nitrite; In water; hydrogen bromide;	EXAMPLE 28 [(2-(6-Fluorobenzothiazolyl))carbonyl]-1-piperidinecarboxylic acid, 1,1-dimethylethyl ester STR36 Slurry 2-amino-6-fluorobenzothiazole (0.255 mol) in water (325 mL), heat to reflux and add 48% hydrobromic acid (130 mL). Maintain at reflux for 20 minutes, cool to 0 C. and add a solution of sodium nitrite (17.56 g, 0.255 mol) water (90 mL), maintaining a temperature of 0 C. Stir at 0 C. for 15 minutes and add by dropwise addition (while keeping cold) to a rapidly stirring mixture of copper (I) bromide (42.03 g, 0.293 mol) in 48% hydrobromic acid (86 mL) and water (225 mL). Stir at room temperature for 20 minutes. Allow to stand overnight, extract into methylene chloride and dry (MgSO4). Evaporate the solvent in vacuo and purify by chromatography to give 2-bromo-6-fluorobenzothiazole.

Reference： [1]Patent: EP1346982,2003,A1
[2]Patent: US5371093,1994,A

8
[ 4556-23-4 ]
[ 1316275-31-6 ]
[ 7783-06-4 ]
[ 7787-70-4 ]
3,4-Dihydro-2,6-dimethyl-4-oxo-5-(4-pyridylthio)-quinazoline [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
1.7 g (48% theory)	With NaH; In methanol; N,N-dimethyl acetamide; mineral oil;	Preparation of Compound (9) (Compound 8A)--3,4-Dihydro-2,6-dimethyl-4-oxo-5-(4-pyridylthio)-quinazoline To a solution of 3.2 g 4-mercaptopyridine (28.8 mmol) in ml of anhydrous N,N-Dimethylacetamide at 0 C. was added 1.24 g (28.8 mmol) NaH (60% dispersion in mineral oil), and the mix was stirred for 1 hr. To this reaction mixture was added 3.1 g <strong>[1316275-31-6]bromoquinazoline</strong> (6) (0.012 mol), 1.4 g copper (I) bromide, and 0.70 g of copper (I) oxide. The mix was heated at 90 C. for 4 hrs. The reaction mixture was evaporated to dryness, 50 ml of an H2 S/methanol solution (10 g/l) was added to the residue, and the mixture was stirred for 1 hr. The mixture was filtered, and the filtrate was evaporated to dryness. The solid was purified via flash chromatography on silica gel using MeOH/CH2 Cl2 (5:95) to yield 1.7 g (48% theory) of a tan solid: M.P. 235-238 C.; IR (KBr) 3430, 1670, 1633, 1575, 1460, 1408, 1300, 841, 820, 714 cm-1; 1 H NMR (DMSO-d6) delta2.28 (s, 3H), 2.40 (s, 3H), 6.80 (d, 2H, J=5.9 Hz), 7.60 (d, 1H, J=8.3 Hz), 7.80 (d, 1H, J=8.5 Hz), 8.24 (d, 2H, J=6.5 Hz), 12.10 (bs, 1H). Anal. Calcd. for C15 H13 N3 OS.H2 O: C, 59.80; H, 4.98; N, 13.95; S, 10.63. Found: C, 59.58; H, 4.90; N, 13.89; S, 10.62. HRMS Calcd. for C15 H13 N3 OS: 283.0773. Found: 283.0779.

Reference： [1]Patent: US5430148,1995,A

9
[ 1747-60-0 ]
[ 7787-70-4 ]
[ 2941-58-4 ]

Yield	Reaction Conditions	Operation in experiment
	With sodium nitrite; In water; hydrogen bromide;	EXAMPLE 24 [(2-(6-Methoxybenzothiazolyl))carbonyl]-1-piperidinecarboxylic acid, 1,1-dimethylethyl ester STR32 Slurry 2-amino-6-methoxybenzothiazole (0.255 mol) in water (325 mL), heat to reflux and add 48% hydrobromic acid (130 mL). Maintain at reflux for 20 minutes, cool to 0 C. and add a solution of sodium nitrite (17.56 g, 0.255 mol) in water (90 mL), maintaining a temperature of 0 C. Stir at 0 C. for 15 minutes and add by dropwise addition (while keeping cold) to a rapidly stirring mixture of copper (I) bromide (42.03 g,0.293 mol) in 48% hydrobromic acid (86 mL) and water (225 mL). Stir at room temperature for 20 minutes. Allow to stand overnight, extract into methylene chloride and dry (MgSO4). Evaporate the solvent in vacuo and purify by chromatography to give 2-bromo-6-methoxybenzothiazole.

Reference： [1]Patent: US5371093,1994,A

10
[ 19952-47-7 ]
[ 7787-70-4 ]
[ 3622-40-0 ]

Yield	Reaction Conditions	Operation in experiment
	With sodium nitrite; In water; hydrogen bromide;	EXAMPLE 21 [(2-(4-Chlorobenzothiazolyl))carbonyl]-1-piperidinecarboxylic acid, 1,1-dimethylethyl ester STR29 Slurry 2-amino-4-chlorobenzothiazole (0.255 mol) in water (325 mL), heat to reflux and add 48% hydrobromic acid (130 mL). Maintain at reflux for 20 minutes, cool to 0 C. and add a solution of sodium nitrite (17.56 g, 0.255 mol) in water (90 mL), maintaining a temperature of 0 C. Stir at 0 C. for 15 minutes and add by dropwise addition (while keeping cold) to a rapidly stirring mixture of copper (I) bromide (42.03 g, 0,293 mol) in 48% hydrobromic acid (86 mL) and water (225 mL). Stir at room temperature for 20 minutes and then heat on a steam bath for an additional 20 minutes. Allow to stand overnight, extract into methylene chloride and dry (MgSO4). Evaporate the solvent in vacuo and purify by chromatography to give 2-bromo-4-chlorobenzothiazole.

Reference： [1]Patent: US5371093,1994,A

11
tert-butyl nitride [ No CAS ]
[ 19952-47-7 ]
[ 7787-70-4 ]
[ 3622-40-0 ]

Yield	Reaction Conditions	Operation in experiment
65%	In hexane; ethyl acetate; acetonitrile;	(Step 1) Synthesis of 2-bromo-4-chlorobenzothiazole Copper (I) bromide (1.40 g, 9.76 mmol) was suspended in acetonitrile (25 ml). To the resulting suspension was added tert-butyl nitride (1.45 ml, 12.2 mmol) and the mixture was stirred at 60ØC for 10 minutes. To the reaction mixture was added 2-amino-4-chlorobenzothiazole (1.50 g, 8.12 mmol), followed by stirring at 60ØC for 2 hours. After cooling, the reaction mixture was diluted with ethyl acetate. The ethyl acetate solution was washed with 1N HCl and saturated brine, dried over anhydrous sodium sulfate, and distilled under reduced pressure to remove the solvent. The residue was purified by chromatography on a silica gel column, whereby from n-hexane/ethyl acetate (7:1, v/v) eluate fractions, 2-bromo-4-chlorobenzothiazole (1.32 g, 65%) was obtained as a pale yellow solid. 1H-NMR (CDCl3) delta: 7.33-7.38 (m, 1H), 7.49-7.53 (m, 1H), 7.67-7.71 (m, 1H).

Reference： [1]Patent: EP1346982,2003,A1

12
[ 136-95-8 ]
[ 7787-70-4 ]
[ 2516-40-7 ]

Yield	Reaction Conditions	Operation in experiment
57%	With tert.-butylnitrite; In hydrogenchloride; hexane; ethyl acetate; acetonitrile;	(Step 1) Synthesis of 2-bromobenzothiazole Copper (I) bromide (1.93 g, 13.5 mmol) was suspended in acetonitrile (30 ml). To the resulting suspension was added tert-butyl nitrite (2.00 ml, 16.8 mmol) and the mixture was stirred at 60OEC for 15 minutes. To the reaction mixture was added 2-aminobenzothiazole (1.68 g, 11.2 mmol) and the mixture was stirred at 60OEC for 1 hour. After cooling, the reaction mixture was poured in 1N HCl, followed by extraction with ethyl acetate. The extract was washed with saturated brine, dried over anhydrous sodium sulfate, and distilled under reduced pressure to remove the solvent. The residue was purified by chromatography on a silica gel column, whereby from n-hexane/ ethyl acetate (7:1, v/v) eluate fractions, 2-bromobenzothiazole (1.36 g, 57percent) was obtained as a brown oil. 1H-NMR (CDCl3) delta: 7.39-7.51 (m, 2H), 7.77-7.82 (m, 1H), 7.94-8.00 (m, 1H).

Reference： [1]Patent: EP1346982,2003,A1

13
[ 95-24-9 ]
[ 7787-70-4 ]
[ 3507-17-3 ]

Yield	Reaction Conditions	Operation in experiment
69%	With tert.-butylnitrite; In hexane; ethyl acetate; acetonitrile;	(Step 1) Synthesis of 2-bromo-6-chlorobenzothiazole Copper (I) bromide (1.40 g, 9.76 mmol) was suspended in acetonitrile (25 ml). To the resulting suspension was added tert-butyl nitrite (1.45 ml, 12.2 mmol) and the mixture was stirred at 60ØC for 15 minutes. To the reaction mixture was added 2-amino-6-chlorobenzothiazole (1.50 g, 8.12 mmol), followed by stirring at 60ØC for 30 minutes. After cooling, the reaction mixture was diluted with ethyl acetate. The ethyl acetate solution was washed with 1N HCl and saturated brine, dried over anhydrous sodium sulfate, and distilled under reduced pressure to remove the solvent. The residue was purified by chromatography on a silica gel column, whereby from n-hexane/ethyl acetate (7:1, v/v) eluate fractions, 2-bromo-6-chlorobenzothiazole (1.39 g, 69%) was obtained as a yellow solid. 1H-NMR (CDCl3) delta: 7.42-7.46 (m, 1H), 7.76-7.90 (m, 2H).

Reference： [1]Patent: EP1346982,2003,A1

14
[ 20358-07-0 ]
[ 7787-70-4 ]
[ 441715-01-1 ]

Yield	Reaction Conditions	Operation in experiment
63%	With tert.-butylnitrite; In hydrogenchloride; hexane; ethyl acetate; acetonitrile;	(Step 1) Synthesis of 2-bromo-5-fluorobenzothiazole Copper (I) bromide (1.26 g, 7.31 mmol) was suspended in acetonitrile (25 ml). To the resulting suspension was added tert-butyl nitrite (1.47 ml, 10.9 mmol) and the mixture was stirred at 60ØC for 10 minutes. To the reaction mixture was added <strong>[20358-07-0]<strong>[20358-07-0]2-amino-5-fluorobenzothiazol</strong>e</strong> (1.23 g, 7.31 mmol), followed by stirring at 60ØC for 60 minutes. After cooling, the reaction mixture was poured in 1N HCl. The crystals thus precipitated were collected by filtration under reduced pressure. The crude crystals were dissolved in ethyl acetate. The solution was purified by chromatography on a silica gel column, whereby from n-hexane/ethyl acetate (7:1, v/v) eluate fractions, 2-bromo-5-fluorobenzothiazole (1.07 g, 63%) was obtained as a yellow solid. 1H-NMR (CDCl3) delta: 7.18-7.23 (m, 1H), 7.64-7.77 (m, 2H).
63%	With tert.-butylnitrite; In hydrogenchloride; hexane; ethyl acetate; acetonitrile;	(Step 1) Synthesis of 2-bromo-5-fluorobenzothiazole Copper (I) bromide (1.26 g, 7.31 mmol) was suspended in acetonitrile (25 ml). To the resulting suspension was added tert-butyl nitrite (1.47 ml, 10.9 mmol) and the mixture was stirred at 60ØC for 10 minutes. To the reaction mixture was added <strong>[20358-07-0]<strong>[20358-07-0]2-amino-5-fluorobenzothiazol</strong>e</strong> (1.23 g, 7.31 mmol), followed by stirring at 60ØC for 60 minutes. After cooling, the reaction mixture was poured in 1N HCl. The crystals thus precipitated were collected by filtration under reduced pressure. The crude crystals were dissolved in ethyl acetate. The resulting solution was washed successively with 1N HCl and saturated brine, dried over anhydrous sodium sulfate, and distilled under reduced pressure to remove the solvent. The residue was purified by chromatography on a silica gel column, whereby from n-hexane/ethyl acetate (7:1, v/v) eluate fractions, 2-bromo-5-fluorobenzothiazole (1.07 g, 63%) was obtained as a yellow solid. 1H-NNR (CDCl3) delta: 7.18-7.23 (m, 1H), 7.64-7.77 (m, 2H).

Reference： [1]Patent: EP1346982,2003,A1
[2]Patent: EP1346982,2003,A1

15
[ 7787-70-4 ]
[ 587-02-0 ]
[ 2725-82-8 ]

Yield	Reaction Conditions	Operation in experiment
40%	With sodium nitrite; In sulfuric acid; hydrogen bromide;	Reference Example G 1 1-bromo-3-ethylbenzene To a solution of 3-ethylaniline (10.0 g, 82.5 mmol) in 50% sulfuric acid (43.6g) was added dropwise an aqueous solution (16.5 mL) of sodium nitrite (6.83 g, 99.0 mmol) over 30 minutes at 0C. The resulting reaction mixture was stirred for 45 minutes at 0C. This diazonium salt solution was added dropwise to a solution of copper (I) bromide (12.4g, 86.6mmol)in a 48% hydrobromic acid (82.5 mL) while heating gently under reflux. After the addition, the reaction mixture was heated to reflux for 30 minutes. The reaction mixture was cooled to room temperature, and extracted with ether. The extracts were sequentially washed with a 1N-aqueous sodium hydroxide solution and brine, and filtrated, dried, and concentrated. The residue was purified by silica gel column chromatography (hexane-ethyl acetate=20:1) to obtain the title compound (6.13g, yield 40%). oil 1H-NMR (CDCl3) delta: 1.23 (3H, t, J= 7.5 Hz), 2.63 (2H, q, J= 7.5 Hz), 7.11-7.20 (2H, m), 7.28-7.38 (2H, m).

Reference： [1]Patent: EP1402900,2004,A1

16
[ 58728-64-6 ]
[ 7787-70-4 ]
[ 92616-49-4 ]

Yield	Reaction Conditions	Operation in experiment
	With sodium nitrite; In hydrogenchloride; water;	a) 4-Bromo-1-naphthonitrile 4-Amino-1-naphthonitrile (0.81 g, 4.8 mmol) was suspended in conc. hydrochloric acid (24 mL), sonicated for 5 min and cooled to 0 C. A solution of sodium nitrite (0.5 g, 7.2 mmol) in water (4 mL) was added dropwise with stirring, maintaining the temperature below 5 C. After stirring for 45 min at 0 C., the reaction mixture was added dropwise to copper(I)bromide (3.47 g, 24.2 mmol) in water (10 mL) at 0 C., then stirred at room temperature for 1 day. Water was added and extracted with diethyl ether. The combined organic extracts were washed with saturated aqueous sodium hydrogen carbonate, then dried (MgSO4), filtered and evaporated in vacuo. The crude product was purified by flash chromatography on silica, eluding with ethyl acetate/hexane (1:4), to yield 4-bromo-1-naphthonitrile as an oil.

Reference： [1]Patent: US2004/122001,2004,A1

17
[ 587-02-0 ]
[ 7787-70-4 ]
[ 2725-82-8 ]

Yield	Reaction Conditions	Operation in experiment
40%	With sodium nitrite; In sulfanic acid; hydrogen bromide;	Reference Example 1 1-bromo-3-ethylbenzene To a solution of 3-ethylaniline (10.0 g, 82.5 mmol) in 50% sulfanic acid (43.6 g) was added dropwise an aqueous solution (16.5 mL) of sodium nitrite (6.83 g, 99.0 mmol) over 30 minutes at 0 C. The resulting reaction mixture was stirred for 45 minutes at 0 C. This diazonium salt solution was added dropwise to a solution of copper (I) bromide (12.4 g, 86.6 mmol) in a 48% hydrobromic acid (82.5 mL) while heating gently under reflux. After the addition, the reaction mixture was heated to reflux for 30 minutes. The reaction mixture was cooled to room temperature, and extracted with ether. The extracts were sequentially washed with a 1N-aqueous sodium hydroxide solution and brine, and filtrated, dried, and concentrated. The residue was purified by silica gel column chromatography (hexane-ethyl acetate=20:1) to obtain a title compound (6.13 g, yield 40%). Oil 1H-NMR (CDCl3) delta: 1.23 (3H, t, J=7.5 Hz), 2.63 (2H, q, J=7.5 Hz), 7.11-7.20 (2H, m), 7.28-7.38 (2H, m).

Reference： [1]Patent: US2004/53973,2004,A1

18
[ 917-23-7 ]
[ 7787-70-4 ]
[ 14172-91-9 ]

Reference： [1]Canadian Journal of Chemistry,1990,vol. 68,p. 2234 - 2238

19
[ 5931-53-3 ]
[ 7787-70-4 ]
μ,μ'-dibromo-bis{(acetonitrile)(diphenyl-o-tolylphosphine)copper(I)}bis(acetonitrile) [ No CAS ]

Reference： [1]Australian Journal of Chemistry,1989,vol. 42,p. 945 - 948

20
[ 5931-53-3 ]
[ 7787-70-4 ]
[ 110142-28-4 ]

Reference： [1]Inorganic Chemistry,1987,vol. 26,p. 3533 - 3538

21
[ 1682-20-8 ]
[ 7787-70-4 ]
[ 7632-00-0 ]
[ 3511-90-8 ]

Reference： [1]Journal of the Chemical Society,
Journal of the Chemical Society,1965,p. 5040 - 5045
[2]Gmelin Handbuch der Anorganischen Chemie,Gmelin Handbook: F: PerFHalOrg.5, 4, page 115 - 148
[3]Patent: BE660873,1965,
Chem.Abstr.,1966,vol. 65

22
[ 2644-70-4 ]
[ 7787-70-4 ]
3Cu⁽¹⁺⁾*2N₂H₅⁽¹⁺⁾*3Br^(1-)*2Cl^(1-)=Cu₃(N₂H₅)2Br₃Cl₂ [ No CAS ]

Reference： [1]Gazzetta Chimica Italiana,1912,vol. 42 I,p. 138 - 178

23
[ 1450-85-7 ]
[ 7787-70-4 ]
[ 122201-82-5 ]

Reference： [1]Polyhedron,1989,vol. 8,p. 1103 - 1110

24
[ 1450-85-7 ]
[ 6224-63-1 ]
[ 7787-70-4 ]
{Cu(I)(pyrimidine-2-thione)(tri-m-tolyl-phosphine)Br}2 [ No CAS ]

Reference： [1]Inorganica Chimica Acta,1992,vol. 197,p. 31 - 38

25
[ 4491-33-2 ]
[ 7787-70-4 ]
[ 76331-94-7 ]

Reference： [1]Bulletin de la Societe Chimique de France,1980,vol. I,p. 287 - 293

26
[ 1450-85-7 ]
[ 1663-45-2 ]
[ 7787-70-4 ]
[ 303988-50-3 ]

Reference： [1]Polyhedron,2000,vol. 19,p. 1615 - 1620

27
[ 1450-85-7 ]
[ 6737-42-4 ]
[ 7787-70-4 ]
[ 485812-13-3 ]

Reference： [1]Inorganic Chemistry,2002,vol. 41,p. 6875 - 6886

28
[ 13925-00-3 ]
[ 7787-70-4 ]
[Cu3Br3(μ2-2-ethylpyrazine-N,N')2] [ No CAS ]

Reference： [1]Zeitschrift fur Naturforschung, B: Chemical Sciences,2002,vol. 57,p. 1133 - 1140

29
[ 13925-00-3 ]
[ 7787-70-4 ]
[Cu2Br2(μ2-2-ethylpyrazine-N,N')] [ No CAS ]

Reference： [1]Zeitschrift fur Naturforschung, B: Chemical Sciences,2002,vol. 57,p. 1133 - 1140

30
[ 638-16-4 ]
[ 7787-70-4 ]
[ 854588-93-5 ]

Reference： [1]Inorganic Chemistry,2005,vol. 44,p. 3907 - 3913

31
[ 1450-85-7 ]
[ 13991-08-7 ]
[ 7787-70-4 ]
[ 861892-42-4 ]

Reference： [1]Inorganica Chimica Acta,2005,vol. 358,p. 3048 - 3056

32
[ 1450-85-7 ]
[ 7787-70-4 ]
[ 69348-38-5 ]

Reference： [1]Inorganica Chimica Acta,2004,vol. 357,p. 1063 - 1076

33
[ 1450-85-7 ]
[ 7787-70-4 ]
[ 69316-80-9 ]

Reference： [1]Inorganic Chemistry,2005,vol. 44,p. 3907 - 3913

34
[ 1450-85-7 ]
[ 983-81-3 ]
[ 7787-70-4 ]
[CuBr(trans-1,2-bis(diphenylphosphino)ethene)(C₄H₄N₂S)]2 [ No CAS ]

Reference： [1]Polyhedron,2005,vol. 24,p. 351 - 358

35
[ 253-72-5 ]
[ 603-35-0 ]
[ 7787-70-4 ]
[(Cu2(μ-Br)2(PPh3)2)(μ-1,6-naphthyridine)].infin. [ No CAS ]

Reference： [1]Inorganic Chemistry,2005,vol. 44,p. 9667 - 9675

36
[ 100-48-1 ]
[ 5931-53-3 ]
[ 7787-70-4 ]
[ 160435-07-4 ]

Reference： [1]Journal of the Chemical Society, Dalton Transactions,1994,p. 2621 - 2630

37
[ 254-60-4 ]
[ 603-35-0 ]
[ 7787-70-4 ]
[ 960123-93-7 ]

Reference： [1]Inorganic Chemistry,2007,vol. 46,p. 10032 - 10034

38
[ 938066-21-8 ]
[ 7787-70-4 ]
[ 1075173-75-9 ]
dibromobis(2-(1-methyl-1H-pyrazol-5-yl)pyridine)dicopper(I) [ No CAS ]

Reference： [1]European Journal of Inorganic Chemistry,2007,p. 4197 - 4206

39
[ 938066-21-8 ]
[ 10035-10-6 ]
[ 7787-70-4 ]
[ 1075173-75-9 ]

Reference： [1]European Journal of Inorganic Chemistry,2007,p. 4197 - 4206

40
[ 1450-85-7 ]
[ 50777-76-9 ]
[ 7787-70-4 ]
[ 1007838-89-2 ]

Reference： [1]Polyhedron,2008,vol. 27,p. 175 - 180

41
[ 1450-85-7 ]
[ 75-09-2 ]
[ 76144-87-1 ]
[ 7787-70-4 ]
[CuBr(2,2'-bis(diphenylphosphano)-1,1'-binaphthyl)(pyrimidine-2-thione)]*CH₂Cl₂ [ No CAS ]

Reference： [1]Polyhedron,2008,vol. 27,p. 3029 - 3035

42
[ 109-99-9 ]
[ 40258-78-4 ]
[ 33527-91-2 ]
cobalt acetylacetonate [ No CAS ]
[ 7787-70-4 ]
Co(CH₃COCHCOCH₃)2(OC₄H₈)2CoBr₂ [ No CAS ]

Reference： [1]Polyhedron,2008,vol. 27,p. 2175 - 2185

43
[ 173035-10-4 ]
[ 7787-70-4 ]
[ 916814-66-9 ]

Yield	Reaction Conditions	Operation in experiment
71%	With sodium t-butanolate; In tetrahydrofuran; at 20℃;	Synthesis of [(SIMes)CuBr]. In an oven-dried vial, copper(I) bromide (0.522 g, 3.63 mmol), SIMes.HCl (0.86 g, 2.52 mmol) and sodium tert-butoxide (0.243 g, 2.52 mmol) were loaded inside a glovebox and stirred in dry THF (18 mL) overnight at room temperature outside of the glovebox. After filtration of the reaction mixture through a plug of Celite, the filtrate was mixed with hexane to form a precipitate. A second filtration afforded 0.808 g (71% yield) of the title complex as an off-white solid.Spectroscopic and analytical data for [(SIMes)CuBr]: 1H NMR (300 MHz, [D6]acetone): delta=7.01 (s, 4H, HAr), 4.16 (s, 4H, NCH2), 2.37 (s, 12H, ArCH3), 2.29 (s, 6H, ArCH3); 13C NMR (75 MHz, CDCl3): delta=202.6 (C, NCN), 138.5 (C, CAr), 135.3 (CH, CAr), 135.0 (C, CAr), 129.7 (CH, CAr), 51.0 (CH2, NCH2), 21.0 (CH3, ArCH3), 18.0 (CH3, ArCH3); Elemental analysis calcd for C21H26BrCuN2 (449.89): C, 56.06; H, 5.83; N, 6.23. Found: C, 55.98; H, 5.64; N, 6.21%.

Reference： [1]Patent: US2009/69569,2009,A1 .Location in patent: Page/Page column 5
[2]Dalton Transactions,2010,vol. 39,p. 7595 - 7606

44
[ 118949-61-4 ]
[ 7787-70-4 ]
[Cu₄Br₄(2,6-bis[4'-(S)-isopropyloxazolin-2'-yl]pyridine)2] [ No CAS ]

Reference： [1]Inorganic Chemistry,2009,vol. 48,p. 11147 - 11160

45
[ 118949-61-4 ]
[ 7787-70-4 ]
[Cu4(μ3-Br)3(μ-Br)(2,6-bis[4'-(S)-isopropyloxazolin-2'-yl]pyridine)]n [ No CAS ]
[Cu₄Br₄(2,6-bis[4'-(S)-isopropyloxazolin-2'-yl]pyridine)2] [ No CAS ]

Reference： [1]Inorganic Chemistry,2009,vol. 48,p. 11147 - 11160

46
[ 128249-70-7 ]
[ 7787-70-4 ]
[Cu₄Br₄(2,6-bis[4'-(R)-phenyloxazolin-2'-yl]pyridine)2] [ No CAS ]

Reference： [1]Inorganic Chemistry,2009,vol. 48,p. 11147 - 11160

47
[ 1450-85-7 ]
[ 166330-10-5 ]
[ 7787-70-4 ]
[ 1258436-56-4 ]

Reference： [1]Dalton Transactions,2010,vol. 39,p. 10238 - 10248

48
[ 13360-92-4 ]
[ 7787-70-4 ]
[CuBr(P(OC₆H₅)(C₆H₅)2)]4 [ No CAS ]

Reference： [1]Organometallics,2011,vol. 30,p. 6225 - 6232

49
[ 1450-85-7 ]
[ 66-71-7 ]
[ 7787-70-4 ]
[ 1422516-89-9 ]

Reference： [1]Dalton Transactions,2013,vol. 42,p. 2755 - 2764

50
[ 4733-39-5 ]
[ 7787-70-4 ]
(2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline)CuBr [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
90%	In acetonitrile; at 20℃;Inert atmosphere;	A mixture of CuBr (0.57g, 4mmol) and 2,9-dimethyl-1,10-phenanthroline (L3) (0.72g, 2mmol) in CH3CN (30ml) was stirred overnight under nitrogen atmosphere at room temperature. The copper complex was obtained as a brick-red solid in 90% yield.

Reference： [1]Journal of Fluorine Chemistry,2014,vol. 167,p. 55 - 60

51
[ 4054-67-5 ]
[ 7732-18-5 ]
[ 75-05-8 ]
[ 7787-70-4 ]
[Cu₆(3,3′,5,5′-tetramethyl-4,4′-bipyrazole)₆(acetonitrile)₃(cyanide)₃Br]·2OH·14(acetonitrile)}_n [ No CAS ]

Reference： [1]Inorganic Chemistry,2015,vol. 54,p. 4737 - 4743

52
[ 4303-67-7 ]
[ 7787-70-4 ]
2C₁₅H₂₈N₂*2Cu⁽¹⁺⁾*2Br^(1-) [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	In acetonitrile; at 20℃; for 0.5h;Sonication; Schlenk technique;	The procedure was similar to the synthesis processof 3, except CuBr instead of CuCl.m/z (ESI; CH3CN) ([C15H28N2+H]+)requires237.2331, found 237.2327 and ([C30H56CuN4]+)requires 535.3796, found 535.3800; IR (substance) Vmax /cm-1=3122,3049, 2918, 2849, 1534, 1520, 1466, 1110, 1100, 843, 832, 655

Reference： [1]Tetrahedron Letters,2015,vol. 56,p. 7059 - 7062

53
gadolinium(III) oxide [ No CAS ]
[ 4385-76-6 ]
[ 7787-70-4 ]
4Cu⁽²⁺⁾*4C₁₂H₈NO₂^(1-)*O^(2-)*6Cu⁽¹⁺⁾*8Br^(1-) [ No CAS ]

Reference： [1]Chemical Communications,2015,vol. 51,p. 17174 - 17177

54
[ 13885-09-1 ]
[ 7787-70-4 ]
di(μ-bromo)bis[2-(diphenylphosphino)biphenyl copper(I)] [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
90.3%	In dichloromethane; at 20℃; for 3h;	Complex 2 was obtained by a similar method as described for 1 using copper(I) bromide (0.032 g,0.22 mmol) in place of copper(I) iodide. Colorless crystals of 2 were obtained (Yield: 0.191 g, 90.3percent). 1HNMR (400 M, CDCl3) delta: 7.51?7.36 (m, 22H, m,p-Ph + H3,H4?PC6H4?), 7.33?7.27 (m, 4H, H5,H6?PC6H4?),7.12?7.00 (m, 12H, o-Ph). 13C NMR (100 M, CDCl3) delta: 147.87, 147.67, 140.24, 140.16, 134.31, 134.17, 133.45,131.80, 131.07, 130.71, 130.14, 129.90, 128.93, 128.69, 127.93, 127.26 (Ar?C). 31P NMR (240 M, CDCl3) delta:?9.70 (s). Anal. Calcd for C48H38Cu2Br2P2: C, 59.83; H, 3.97. Found: C, 59.88; H, 3.97. MS (MALDI-TOF): m/zCalcd for [M?2Br?Cu + C24H19P]+, 739.1745, found 739.1747.

Reference： [1]Journal of Coordination Chemistry,2016,vol. 69,p. 3692 - 3702

55
[ 1445-39-2 ]
[ 7732-18-5 ]
[ 10035-10-6 ]
[ 7787-70-4 ]
C₄H₄IN₃*Cu⁽¹⁺⁾*Br^(1-)*H₂O*BrH [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
27%	at 20℃; for 24h;	General procedure: Prepared as described for 1 except CuBr (0.29g, 2.0mmol) and HBr (47%) were used. Yield: 0.25g (27%). Anal. Calcd for C4H7N3IOCuBr2 (MW=463.48): C, 10.37; H, 1.52; N, 9.07. Found: C, 10.28; H, 1.66; N, 8.91. FT-IR (cm-1): 3163(w), 2348(m), 1673(m), 1604(m), 1363(w), 1220(s), 868(s), 664(s). The color of crystal is purple.

Reference： [1]Journal of Molecular Structure,2017,vol. 1144,p. 173 - 180

56
[ 1662-01-7 ]
[ 6737-42-4 ]
[ 7787-70-4 ]
[Cu(1,3-bis(diphenylphosphino)propane)(4,7-diphenyl-1,10-phenanthroline)]Br [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
80%	In methanol; dichloromethane; at 20℃; for 6h;	A mixture of CuBr (28.7mg, 0.2mmol) and <strong>[6737-42-4]dppp</strong> (82.5mg, 0.2mmol) with an excess of batho (66.5mg, 0.2mmol) were dissolved in CH2Cl2 (5mL) and CH3OH (5mL) solution, stirred at room temperature for 6h. The insoluble residues were removed by filtration, and the filtrate was evaporated slowly at room temperature to yield yellow crystalline products. Yield: 80%. Anal. Calc. for C53H50BrCuN2O2P2: C, 66.84; H, 5.29; N, 2.94. Found: C, 66.97; H, 5.15; N, 2.88%. IR (KBr disc, cm-1): 3378s, 3048w, 2858w, 2580w, 1616w, 1556m, 1515m, 1433s, 1414m, 1229m, 1026s, 998w, 767m, 740s, 698vs, 513s, 482m. 1H NMR (600MHz, CDCl3, 298K): delta 7.87-8.98 (d, 6H, batho CH), 7.56-7.68 (m, 10H, batho CH), 7.41-7.24 (m, 20H, <strong>[6737-42-4]dppp</strong> CH), 2.91-2.81 (m, 4H, CH2), 2.78-2.63 (m, 2H, CH2); 31P NMR (400MHz, CDCl3, 298K): -12.25, -14.84.

Reference： [1]Polyhedron,2019,vol. 157,p. 301 - 309

57
[ 110-86-1 ]
[ 13925-00-3 ]
[ 7558-02-3 ]
[ 7787-70-4 ]
[copper(I)bromide(pyridine)_0.9988(2-ethyl-pyrazine)_0.0012] [ No CAS ]

Reference： [1]Journal of Materials Chemistry C,2019,vol. 7,p. 1484 - 1490

58
[ 1245-13-2 ]
[ 7787-70-4 ]
[ 1310-73-2 ]
Cu(I)(bicinchoninic acid)⁽¹⁺⁾ [ No CAS ]

Reference： [1]European Journal of Organic Chemistry,2019,vol. 2019,p. 4951 - 4961

59
[ 4054-67-5 ]
[ 7787-70-4 ]
C₁₀H₁₄N₄*Cu⁽¹⁺⁾*Br^(1-) [ No CAS ]

Reference： [1]Chemistry - A European Journal,2020

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[ CAS No. 7787-70-4 ]

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[ 7787-70-4 ] Synthesis Path-Upstream 1~15

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