[ CAS No. 298-14-6 ]

Name: 298-14-6|Potassium hydrogen carbonate|99%
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Quality Control of [ 298-14-6 ]

COA NMR CNMR HPLC LC-MS

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SDS Specification

Alternatived Products of [ 298-14-6 ]

Product Details of [ 298-14-6 ]

CAS No. :	298-14-6	MDL No. :	MFCD00011402
Formula :	CHKO₃	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	TYJJADVDDVDEDZ-UHFFFAOYSA-M
M.W :	100.12	Pubchem ID :	516893
Synonyms :

Calculated chemistry of [ 298-14-6 ]

Physicochemical Properties

Num. heavy atoms :	5
Num. arom. heavy atoms :	0
Fraction Csp3 :	0.0
Num. rotatable bonds :	0
Num. H-bond acceptors :	3.0
Num. H-bond donors :	1.0
Molar Refractivity :	8.71
TPSA :	60.36 Å²

Pharmacokinetics

GI absorption :	High
BBB permeant :	No
P-gp substrate :	No
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-7.0 cm/s

Lipophilicity

Log Po/w (iLOGP) :	0.0
Log Po/w (XLOGP3) :	-0.13
Log Po/w (WLOGP) :	-1.11
Log Po/w (MLOGP) :	-1.6
Log Po/w (SILICOS-IT) :	-0.44
Consensus Log Po/w :	-0.66

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	2.0
Bioavailability Score :	0.56

Water Solubility

Log S (ESOL) :	-0.38
Solubility :	41.8 mg/ml ; 0.418 mol/l
Class :	Very soluble
Log S (Ali) :	-0.68
Solubility :	20.7 mg/ml ; 0.207 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	1.49
Solubility :	3090.0 mg/ml ; 30.8 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	2.25

Safety of [ 298-14-6 ]

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P261-P280-P305+P351+P338	UN#:	N/A
Hazard Statements:	H302-H315-H319-H335	Packing Group:	N/A
GHS Pictogram:

Application In Synthesis of [ 298-14-6 ]

* 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 [ 298-14-6 ]
Downstream synthetic route of [ 298-14-6 ]

[ 298-14-6 ] Synthesis Path-Upstream 1~13

1
[ 298-14-6 ]
[ 591-27-5 ]
[ 65-49-6 ]

Reference： [1] Chemistry Letters, 2011, vol. 40, # 2, p. 206 - 208
[2] Biochemical and Biophysical Research Communications, 2010, vol. 394, # 2, p. 279 - 284
[3] Bulletin of the Chemical Society of Japan, 2013, vol. 86, # 5, p. 628 - 634
[4] RSC Advances, 2014, vol. 4, # 19, p. 9673 - 9679

2
[ 111-25-1 ]
[ 298-14-6 ]
[ 7523-15-1 ]

Reference： [1] Chemische Berichte, 1981, vol. 114, # 3, p. 1210 - 1215

3
[ 298-14-6 ]
[ 1493-27-2 ]
[ 2217-65-4 ]

Reference： [1] Journal of Organic Chemistry, 1984, vol. 49, p. 1122 - 1125
[2] Journal of Organic Chemistry, 1984, vol. 49, p. 1122 - 1125

4
[ 591-20-8 ]
[ 298-14-6 ]
[ 1666-28-0 ]

Reference： [1] RSC Advances, 2014, vol. 4, # 19, p. 9673 - 9679

5
[ 298-14-6 ]
[ 90-05-1 ]
[ 877-22-5 ]

Reference： [1] RSC Advances, 2014, vol. 4, # 19, p. 9673 - 9679

6
[ 298-14-6 ]
[ 150-76-5 ]
[ 2612-02-4 ]

Reference： [1] RSC Advances, 2014, vol. 4, # 19, p. 9673 - 9679

7
[ 634-36-6 ]
[ 298-14-6 ]
[ 610-02-6 ]

Reference： [1] Journal of Organic Chemistry, 1966, vol. 31, p. 1883 - 1887

8
[ 298-14-6 ]
[ 87-66-1 ]
[ 610-02-6 ]

Reference： [1] Tetrahedron, 1967, vol. 23, p. 2829 - 2847

9
[ 298-14-6 ]
[ 123-08-0 ]
[ 616-76-2 ]

Reference： [1] Advanced Synthesis and Catalysis, 2017, vol. 359, # 6, p. 959 - 965

10
[ 298-14-6 ]
[ 120-80-9 ]
[ 19829-72-2 ]

Reference： [1] Crystal Growth and Design, 2018, vol. 18, # 6, p. 3360 - 3365

11
[ 28343-22-8 ]
[ 298-14-6 ]
[ 530-59-6 ]

Reference： [1] Advanced Synthesis and Catalysis, 2015, vol. 357, # 8, p. 1909 - 1918

12
[ 133082-93-6 ]
[ 298-14-6 ]
[ 2582-30-1 ]

Reference： [1] Journal of Labelled Compounds and Radiopharmaceuticals, 2010, vol. 53, # 5-6, p. 257 - 260

13
[ 298-14-6 ]
[ 2582-30-1 ]

Reference： [1] Journal of Labelled Compounds and Radiopharmaceuticals, 2010, vol. 53, # 5-6, p. 257 - 260

[ 298-14-6 ] Synthesis Path-Downstream 1~68

1
[ 74-87-3 ]
[ 298-14-6 ]
[ 115-10-6 ]
[ 616-38-6 ]

Reference： [1]Journal of Organic Chemistry,1984,vol. 49,p. 1122 - 1125

2
[ 111-25-1 ]
[ 298-14-6 ]
[ 7523-15-1 ]

Reference： [1]Chemische Berichte,1981,vol. 114,p. 1210 - 1215

3
[ 100-39-0 ]
[ 298-14-6 ]
[ 3459-92-5 ]

Reference： [1]Chemische Berichte,1981,vol. 114,p. 1210 - 1215

4
[ 298-14-6 ]
[ 100-44-7 ]
[ 3459-92-5 ]
[ 103-50-4 ]

Reference： [1]Journal of Organic Chemistry,1984,vol. 49,p. 1122 - 1125

5
[ 298-14-6 ]
[ 104-81-4 ]
[ 38460-98-9 ]
[ 88730-70-5 ]

Reference： [1]Journal of Organic Chemistry,1984,vol. 49,p. 1122 - 1125

6
[ 298-14-6 ]
[ 1493-27-2 ]
[ 2217-65-4 ]

Reference： [1]Journal of Organic Chemistry,1984,vol. 49,p. 1122 - 1125
[2]Journal of Organic Chemistry,1984,vol. 49,p. 1122 - 1125

7
[ 298-14-6 ]
[ 766-80-3 ]
[ 77588-36-4 ]

Reference： [1]Chemische Berichte,1981,vol. 114,p. 1210 - 1215

8
[ 934-67-8 ]
[ 298-14-6 ]
platinum electrodes [ No CAS ]
[ 591-47-9 ]
[ 7731-29-5 ]
[ 589-92-4 ]

Reference： [1]Helvetica Chimica Acta,1934,vol. 17,p. 717,719

9
[ 91-19-0 ]
[ 298-14-6 ]
[ 879-65-2 ]

Reference： [1]Bioscience, Biotechnology and Biochemistry,2002,vol. 66,p. 2388 - 2394

10
[ 298-14-6 ]
3-(nitrooxy)propylamine nitric acid salt [ No CAS ]
[ 5259-97-2 ]

Reference： [1]Russian Chemical Bulletin,2003,vol. 52,p. 2221 - 2230

11
[ 124-38-9 ]
[ 7732-18-5 ]
[ 584-08-7 ]
[ 298-14-6 ]

Yield	Reaction Conditions	Operation in experiment
	In ethylene glycol; diethylene glycol; at 22℃; for 1h;	This Example V demonstrates soluble catalyst recycle and the use of carbon dioxide to reformulate bicarbonate catalyst that is degraded to carbonate form during the distillation recovery of alkylene oxide product. A 500-ml stirred batch reactor was charged with a mixture of 15 wt% MEG in water containing 7.1 wt% potassium bicarbonate soluble catalyst. The mixture was heated under N2 atmosphere (7000 kPa) to 80C, before the addition of 18 grams of ethylene oxide. Conversion was 99.1% after 4 hours, corresponding to a rate constant (adjusted to 90C) of 2.7 1/h/(eq/L) for the catalyzed reaction, relative to the thermal reaction. The mixture was distilled in a batch still to remove water and a portion of the MEG product, with a maximum bottoms temperature of 136C, over a period of 6.5 hours. No precipitates were observed in the bottoms produced while heated at distillation temperature. A final bottoms fraction containing MEG and trade DEG (diethylene glycol) yielded 36.6 grams. Titration of the bottoms fraction indicated 91% retention of potassium carbonate or bicarbonate catalyst. Small loss of catalyst can be attributed to sampling for analysis. 93% of the bicarbonate had degraded to carbonate via loss of carbon dioxide during distillation. The bottoms mixture containing degraded catalyst was blended with an amount of water required for a second reaction cycle, and sparged with carbon dioxide for one hour at ambient temperature (22C). Titration revealed virtually complete regeneration of bicarbonate, with 97.5% in bicarbonate form vs. 2.5% carbonate. 244 grams of the water-diluted recycle mixture were recycled to the reactor for a second reaction, conducted at 90C, and also entailing addition of 18 grams of ethylene oxide. A conversion of 99.3% was obtained in only 3 hours, for a calculated catalytic rate constant of 3.0 1/h/(eq/L). Titration of the reaction mixture indicated 96.0% of the catalyst remaining in bicarbonate form, indicating negligible catalyst degradation during reaction. Reaction selectivity to MEG was 96%, indicating successful recycle and regeneration of selective bicarbonate catalyst. Rate constants for the recycle demonstration experiment compare favorably with the smaller-scale results reported in Table 1 of above Example I.
	at 71 - 130℃;	The effect of using the process as described above and shown in Fig. 1 is summarised in Tables 1 to 3 below. Product mixture 3 having been cooled to 130C has a composition as shown in Table 1. Table 1 ComponentNm3/h Vol.% H2 37361 17.53 H2O 1255 0.59 N2 19182 9.00 CO 35582 16.69 CO2 69187 32.46 Methanol 3173 1.49 DME 47386 22.23 Having been treated with potassium carbonate wash in absorber unit 4, the effluent 5 is at a temperature of 71C when being introduced into solid adsorbent 6. The composition of the effluent 5 is shown in Table 2 and the effluent 7 from adsorbent 6 in Table 3. Table 2 ComponentNm3/h Vol.% H2 37361 26.17 H2O 165 0.12 N2 19182 13.43 CO 35582 24.92 CO2 71 0.05 Methanol 3173 2.22 DME 47386 33.19Table 3 ComponentNm3/h Vol.% H2 37361 26.18 H2O 165 0.12 N2 19182 13.43 CO 35582 24.92 CO2 0.14 0.0001 Methanol 3173 2.22 DME 47386 33.21
	at 71 - 130℃;	FIG. 1 shows the general process steps in the preparation of dimethyl ether from synthesis gas.Synthesis gas 1 is sent to DME synthesis reactor 2 for catalytic conversion to methanol and DME according to reactions (1) and (2). The shift reaction also takes place according to reaction (3). The effluent from DME synthesis reactor 2 contains product mixture 3, which comprises a mixture of dimethyl ether, carbon dioxide and unconverted synthesis gas. Product mixture 3 is cooled and sent to absorber unit 4 and being stripped with an aqueous solution containing typically 20 to 40 wt % potassium carbonate for the removal of carbon dioxide. The potassium carbonate process is based on reversible reaction (5).; Having been treated with potassium carbonate wash in absorber unit 4, the effluent 5 is at a temperature of 71 C. when being introduced into solid adsorbent 6. The composition of the effluent 5 is shown in Table 2 and the effluent 7 from adsorbent 6 in Table 3.

Reference： [1]Patent: EP1484300,2004,A1 .Location in patent: Page 11; 12
[2]Patent: EP2028173,2009,A1 .Location in patent: Page/Page column 3-5
[3]Patent: US2009/54539,2009,A1 .Location in patent: Page/Page column 2

12
ClCO(CH₂)3Br [ No CAS ]
cis-2-[3-(4-chlorophenyl)-2(E)-propenyl]-6-[[2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl-methyl)-1,3-dioxolan-4-yl]-methoxy]-1,2,3,4-tetrahydro-5-isoquinolin-amine [ No CAS ]
[ 298-14-6 ]
cis-1-[2-[3-(4-chlorophenyl)-2(E)-propenyl]-6-[[2-(2,4-dichlorophenyl)-2(1H-imidazol-1-yl-methyl)-1,3-dioxolan-4-yl]-methoxy]-1,2,3,4-tetrahydro-isoquinolinyl]-2-pyrrolidinone [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With dmap; In dichloromethane; ethyl acetate;	EXAMPLE 5 cis-1-[2-[3-(4-chlorophenyl)-2(E)-propenyl]-6-[[2-(2,4-dichlorophenyl)-2(1H-imidazol-1-yl-methyl)-1,3-dioxolan-4-yl]-methoxy]-1,2,3,4-tetrahydro-isoquinolinyl]-2-pyrrolidinone. A mixture of 125 mg of the product of Example 3, 1 ml of methylene chloride, 40 mg of ClCO(CH2)3Br and 30 mg of DMAP in 1 ml of methylene chloride is agitated at ambient temperature for 24 hours, followed by pouring into a mixture of potassium acid carbonate and ethyl acetate. 160 mg of crude product is obtained; after chromatography, 80 mg of sought product is obtained. MS: M+H+=694.

Reference： [1]Patent: US2003/187267,2003,A1

13
[ 221615-86-7 ]
[ 298-14-6 ]
4-(4-nitro-3-hydroxy-2,5,6-trifluoro-phenoxy)-2-(4-benzyloxycarbonylphenoxy)-3,5,6-tri-fluoropyridine [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
92%	With potassium carbonate; In dimethyl sulfoxide;	EXAMPLE 8 Preparation of 4-(4-nitro-3-hydroxy-2,5,6-trifluoro-phenoxy)-2-(4-benzyloxycarbonylphenoxy)-3,5,6-tri-fluoropyridine STR17 40 g of 2-(4-benzyloxycarbonylphenoxy)-3,4,5,6-tetrafluoropyridine (0.106 mol) prepared as described in Example 7 and 22.4 g of 4-nitrotetrafluorophenol (0.106 mol) prepared as described in Example 4 are dissolved in 400 ml of dimethyl sulfoxide. 30 g of potassium carbonate (0.22 mol) are added in portions to the solution. The mixture is then stirred at room temperature for 24 hours and then heated at 60 C. for 24 hours, and 15 g of potassium hydrogen-carbonate (0.15 mol) are then added. The reaction solution is then cooled to room temperature and filtered through a fluted filter. The crude product is extracted by shaking with 300 ml of ethyl acetate and 700 ml of water, and the organic phase is washed three times with water and evaporated in a rotary evaporator until the reaction product precipitates out. The reaction product is then recrystallized from a mixture of ethyl acetate and n-hexane (volume ratio 1:1) and then dried for 48 hours under nitrogen at 40 C./10 mbar in a vacuum drying cabinet (Yield: 92%). Characterization: Mass spectrum: molecular peak at 566

Reference： [1]Patent: US5998662,1999,A

14
[ 880-78-4 ]
[ 298-14-6 ]
[ 1193-24-4 ]
4,6-bis(4-nitro-3-hydroxy-2,5,6-trifluorophenoxy)pyrimidine [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
94%	With hydrogenchloride; potassium carbonate; In nitrogen; water; dimethyl sulfoxide; ethyl acetate;	EXAMPLE 5 Preparation of 4,6-bis(4-nitro-3-hydroxy-2,5,6-trifluorophenoxy)pyrimidine STR12 11.2 g of <strong>[1193-24-4]4,6-dihydroxypyrimidine</strong> (0.1 mol) and 42.6 g of pentafluoronitrobenzene (0.2 mol) are dissolved in 400 ml of dimethyl sulfoxide in a 2 l three-neck flask fitted with nitrogen inlet and stirrer. 60 g of potassium carbonate (0.43 mol) are added in portions to the solution. The mixture is then stirred at room temperature for 24 hours and then heated in a temperature-controllable oil bath at 60 C. for 4 hours and, after the addition of 30 g of potassium hydrogen-carbonate (0.3 mol), for a further 6 hours. The reaction solution is then allowed to cool to room temperature, and the residue is filtered off via a Buchner funnel. After 500 ml of water and 300 ml of ethyl acetate has been added, concentrated hydrochloric acid is added drop wise until the solution is acidic. The organic phase is then washed three times with water, dried over sodium sulfate and evaporated to half in a rotary evaporator. After 2 days, the precipitated orange-brown crystals are filtered off, washed with petrol ether and dried for 48 hours under nitrogen at 40 C./10 mbar in a vacuum drying cabinet (yield: 94%). Characterization: Mass spectrum: molecular peak at 494

Reference： [1]Patent: US6150558,2000,A

15
[ 7386-43-8 ]
[ 298-14-6 ]
[ 109-73-9 ]
[ 16268-97-6 ]

Yield	Reaction Conditions	Operation in experiment
96%	In water; toluene; acetonitrile;	REFERENTIAL EXAMPLE 3 (Production of 2,4,6-tris(n-butylamino)-1,3,5-triazine) 18.5 g (0.1 mol.) of cyanuric chloride were dissolved in 150 mL of acetonitrile. The mixture solution was cooled to 0 C. The cooled solution was dropwise added with a solution of 14.6 g (0.2 mol.) of butylamine in 20 mL of water over one hour while stirring in such a manner that the temperature did not raise over 5 C. While further continuing the stirring, a solution of 20.0 g (0.2 mol.) of potassium hydrogenecarbonate in 100 mL of water was dropwise added to the solution at the same temperature. Thereafter, the reaction temperature was gradually raised and the stirring was continued at 45 C. for eight hours. After the completion of the conversion of the resulting product into 2,4-bis(butylamino)-6-chloro-1,3,5-triazine was recognized by a high-performance liquid chromatography, the obtained produt was cooled and separated through filtration. After the filtrated cake was fully wahsed with a large amount of water, the obtained 2,4-bis(butylamino)-6-chloro-1,3,5-triazine was suspended in 100 mL of water and added with 29.2 g (0.4 mol.) of butylamine and further reacted for six hours under heat-reflux. After cooling, the resulting product was added with 200 mL of toluene and vigorously stirred. Thereafter, the aqueous layer was separated. After the toluene layer was further washed thrice with each 150 mL of water, toluene was distilled off from the organic layer under heating and reduced pressure to obtain 28.2 g of 2,4,6-tris(n-butylamino)-1,3,5-triazine (yield: 96%).

Reference： [1]Patent: US6130332,2000,A

16
[ 298-14-6 ]
[ 27143-12-0 ]
ethyl 1-(2,4-dichloro-phenyl)-5-isopropyl-1H-pyrazole-3-carboxylate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
95.0%	With hydrogenchloride; In 2-methoxy-3-methyl-but-1-ene; water;	EXAMPLE 1 Ethyl 1-(2,4-dichlorophenyl)-5-isopropylpyrazole-3-carboxylate 1550 g of ethyl 2-chloroglyoxalate 2,4-dichlorophenylhydrazone are dissolved in 1000 g of 2-methoxy-3-methylbut-1-ene and a total of 600 g of potassium hydrogen-carbonate in 500 ml of water is added continuously at 70-80 C. such that a pH of about 8-8.5 is always maintained. After a total reaction time of 4 hours, the excess enol ether (465 g) is distilled off and the reaction mixture is adjusted to a pH of 0.5 using 190 ml of hydrochloric acid. After heating to reflux for 1 hour, the mixture is cooled to room temperature and the precipitated crystallizate is filtered off with suction. 1701 g of product having a purity of 95.4% are obtained, which corresponds to a yield of 95.0% of theory. The melting point is 95-96 C.

Reference： [1]Patent: US5159086,1992,A

17
[ 298-14-6 ]
[ 590-29-4 ]

Yield	Reaction Conditions	Operation in experiment
30.8%	With 5%-palladium/activated carbon; hydrogen; In water; under 20627.1 Torr; for 1h;	General procedure: The hydrogenation of bicarbonate was carried out in the Parr micro-reactor, the dehydrogenation of formate was carried out in the reactor illustrated in FIG. 1. The fresh catalyst system after one cycle reaction (bicarbonate hydrogenation and formate dehydrogenation) was noted as spent 1 cycle. After every reaction, the spent catalyst system was separated by centrifugation and washed with water and ethanol 5 times, then dried at 50 C. in N2. The hydrogenation reaction conditions were: 20 mL H2O, 1M concentration of ammonium bicarbonate, 20 C. reaction temperature, 400 psi (H2) reaction pressure, 0.1 g fresh and spent catalyst system loading, 1 hour reaction time. Dehydrogenation reaction conditions were: 20 mL H2O, 1M concentration of ammonium formate, 80 C. reaction temperature, 1 atm (N2) reaction pressure, 0.1 g catalyst system loading, one hour reaction time. In the hydrogenation reaction system using a Pd/AC (5 wt % Pd) nano-catalyst system and 20 mmol NH4HCO3 in 20 ml H2O (NH4HCO3 concentration=1 mol/L), the ability to produce formate was determined. A high yield of ammonium formate, 59.6%, with a TON of 1103 was gained after reacting for 1 hour when the initial H2 pressure was 5.5 MPa. By extending the reaction time to 2 hours, a 90.4% formate yield with a TON of 1672 was obtained. As a side-by-side comparison, a [{RuCl2(benzene)}2] homogeneous catalyst was used under the similar reaction conditions (5 MPa initial H2 pressure and a 2-hour reaction time). Using the [{RuCl2(benzene)}2] homogeneous catalyst a yield of formate 35% with a TON of 807 was gained from 24 mmol NaHCO3 in the solution of 25 ml H2O and 5 ml THF solvent (reagent concentration<1 mol/L). These results indicate that the hydrogen storage process based on the reduction of ammonium bicarbonate over the Pd/AC heterogeneous catalyst system is more efficient than a homogeneous catalyst.
	With C12H32N4NiO(2+)*2NO3(1-); hydrogen; In water; at 100℃; under 45004.5 Torr; for 3h;High pressure;Catalytic behavior;	Hydrogenation reactions were performed in a high-pressurereactor (250 mL). The solution of NaHCO3 was added into the reactoralong with the catalyst. The reactor was then purged with N2before the introduction of H2 (60 bar at room temperature), andthen heated to the chosen temperature accompanied by stirringat 300 rpm. After a specific period of time, the reactor was cooleddown to room temperature and the pressure released. The productwas analyzed using an Agilent 1200 series (Agilent Technologies,Germany) LC system. The product separation was performed at50 C on a BIORAD AmineX HPX-87H Ion Exclusion Column(300 mm 7.8 mm). The flow rate was maintained at 0.75mL/min, run time was 20 min, and the UV detector was set at220 nm. The injection volume of the sample was 10 lL. The calibrationcurve with R2 of 0.999 was obtained with a series of formatesolutions (0.001 to 0.050 M).

Reference： [1]Angewandte Chemie - International Edition,2014,vol. 53,p. 13583 - 13587
Angew. Chem.,2014,vol. 126,p. 13801 - 13805,5
[2]Green Chemistry,2017,vol. 19,p. 716 - 721
[3]Chemische Berichte,1914,vol. 47,p. 543
[4]Gmelin Handbuch der Anorganischen Chemie,Gmelin Handbook: K: MVol.4, 3, page 857 - 870
[5]New Journal of Chemistry,2017,vol. 41,p. 3055 - 3060
[6]ChemSusChem,2015,vol. 8,p. 813 - 816
[7]Patent: US2016/137573,2016,A1 .Location in patent: Paragraph 0105; 0119
[8]Chemische Berichte,1923,vol. 56,p. 1666
[9]Gmelin Handbuch der Anorganischen Chemie,Gmelin Handbook: K: MVol.4, 3, page 857 - 870
[10]Chemische Berichte,1884,vol. 17,p. 7
[11]Angewandte Chemie - International Edition,2011,vol. 50,p. 6411 - 6414
[12]Gmelin Handbuch der Anorganischen Chemie,Gmelin Handbook: K: MVol.4, 5.3, page 912 - 921
[13]Journal of the American Chemical Society,2018,vol. 140,p. 16873 - 16876
[14]Journal of Catalysis,2020,vol. 382,p. 121 - 128

18
[ 1333-74-0 ]
[ 298-14-6 ]
[ 590-29-4 ]

Reference： [1]Chemische Berichte,1914,vol. 47,p. 545
[2]Gmelin Handbuch der Anorganischen Chemie,Gmelin Handbook: K: MVol.4, 5.3, page 912 - 921
[3]Patent: DE283895,
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[4]Chemische Berichte,1923,vol. 56,p. 1666
[5]Gmelin Handbuch der Anorganischen Chemie,Gmelin Handbook: K: MVol.4, 5.3, page 912 - 921

19
cobalt(II) chloride hexahydrate [ No CAS ]
[ 298-14-6 ]
potassium tricarbonato-cobaltate(III) [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
83%	With dihydrogen peroxide; In water; at 0℃; for 0.5h;	General procedure: The ligand, 9-anthraldehyde-N(4)-methylthiosemicarbazone(MeATSC) 1, was synthesized according to previously reported protocol[140]. [Co(phen)2(O2CO)]Cl·6H2O (where phen=1,10-phenanthroline)2 was synthesized using the procedure as reported by Kashiwabaraet al. [153]: Cobalt chloride hexahydrate (2.35 g, 10 mmol) in water(5 mL) and 30% H2O2 (2 mL) were mixed in an ice-bath; then themixture was added drop wise to a slurry of KHCO3 (6.0 g, 60 mmol) inwater (6 mL) at 0 C. After the addition, the reaction mixture was stirredat 0 C for 30 min. 1,10-Phenanthroline (3.6 g, 20 mmol) was dissolvedin aqueous ethanol (5 mL) and was added to the solution of CoCl2·6H2Oand H2O2. The resulting solution was stirred for 1 h at 20 C.After stirring for 1 h, the temperature was raised to 33 C and thestirring was continued for 2 h. The previously green solution turned redin color after stirring for 2 h. The temperature was again raised to 50 Cand water (5 mL) was added to the solution. The solution was stirred forone additional hour. Glacial acetic acid (1176 muL, 1.2 g, 20 mmol) inwater (5 mL) was added drop wise to the solution over a period of15 min. The stirring was continued at 50 C for 2 h. After 2 h, glacialacetic acid (1176 muL) in water (5 mL) was again added drop wise to thesolution over a period of 15 min. The reaction was stirred for additional30 min at 50 C. The reaction mixture was then filtered using gravity;then the filtrate was kept overnight whereby crystals were formed. Thecrystals were filtered off in a fine frit and the resulting mother liquor ofthe filtrate was concentrated to half volume; then cooled in the refrigerator overnight to form more crystals. The second set of redcrystals were filtered from the mother liquor and air dried. All crystalswere combined and weighed. Yield=5.15 g (83%). 1H NMR (400 MHz, DMSO-d6) 9.28 (d, J=7.92 Hz, 2 H), 9.22 (d,J=4.84 Hz, 2 H), 8.93 (d, J=7.70 Hz, 2 H), 8.50 (m, 4 H), 8.43(m, 2 H), 7.84 (d, J=4.62 Hz, 2 H), and 7.78 (m, 2 H).1H NMR (400 MHz, D2O, delta/ppm) 9.35 (dd, J=5.28, 1.10 Hz, 2 H),9.11 (dd, J=8.14, 1.10 Hz, 1 H), 8.67 (dd, J=7.92, 1.32 Hz, 1 H),8.45 (dd, J=5.50, 3.08 Hz, 1 H), 8.27 (d, J=8.80 Hz, 1 H), 8.16(d, J=9.02 Hz, 1 H), and 7.52-7.63 (m, 2 H).13C NMR (101 MHz, DMSO-d6, delta/ppm) 163.14, 154.03, 151.58,147.01, 146.78, 140.82, 139.77, 130.27, 130.13, 127.97, 127.76,127.71, and 126.82.Lit. [154] 1H NMR (400 MHz, DMSO-d6, delta/ppm) 9.24 (J=5.36),8.99 (J=8.28), 8.55 (J=7.62), 8.16 (J=8.92), 8.04 (J=8.89).Lit. [154] 13C NMR (101 MHz, DMSO-d6, delta/ppm) 166.63, 154.45,151.21, 147.43, 147.38, 141.37, 140.33, 130.92, 130.83, 128.12,127.83, 128.66, and 126.47.High resolution ESI MS (positive mode): For [C25H16CoN4O3]+,found m/z=479.0544 and calculated m/z=479.0549 ([M-Cl]+).

Reference： [1]Journal of Inorganic Biochemistry,2020,vol. 203
[2]Bulletin of the Chemical Society of Japan,1956,vol. 29,p. 883 - 886
[3]Gmelin Handbuch der Anorganischen Chemie,Gmelin Handbook: Co: SVol.B2, 136, page 613 - 614

20
[ 14167-18-1 ]
[ 298-14-6 ]
K[Co(N,N'-disalicylideneethylenediaminato)(CO₃)]*5/2H₂O [ No CAS ]

Reference： [1]Bulletin of the Chemical Society of Japan,1985,vol. 58,p. 646 - 650

21
[ 138-41-0 ]
[ 298-14-6 ]
[ 117662-91-6 ]

Yield	Reaction Conditions	Operation in experiment
98%	In water; at 45℃; for 0.5h;	Example 2Preparation of sodium 4-sulfamoylbenzoate (VIII); [Gubert, S., Farmaco 45, 59 (1990); Rodionov,V. H., Javorskaja, E. V., Zh. Obsc. Chim. 18, 110 (1948)].In the 500 ml Erlenmeyer flask the solution of 20.1 g (0.2 mol) <strong>[298-14-6]potassium bicarbonate</strong> in 180 ml of the distilled water was prepared. To this solution, 40.2 g (0.2 mol) of 4-sulfamoylbenzoic acid VII was added portionwise for 30 minutes under stirring at 45 0C, each time until dissolution. The mixture was fizzing by leaking CO2. Then the water was distilled off to the dryness from the solution on the vacuum rotatory evaporator (the temperature of the bath did not exceed 60 0C). Remaining humidity was removed by severalfold azeotropic distillation with toluene on the vacuum evaporator. The solid residue was shaken with dichloromethane, this was decanted and the solid product was dried under the infralamp. Colourless solid. Yield 43 g (98 %) of potassium 4-sulfamoylbenzoate VIII.

Reference： [1]Patent: WO2008/130332,2008,A1 .Location in patent: Page/Page column 8; 12

22
[ 112193-35-8 ]
[ 298-14-6 ]
dipotassium salt of N-(5-hydroxynicotinoyl)-L-glutamic acid [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
79.4%	In water; at 50 - 60℃;	Example 3.; Heat suspension of 0.27g (0.001 M) of N-(5-hydroxynicotinoyl)-L-glutamic acid in 5 ml of water up to 50-60C and carefully add 0.24g (0.0024M) of <strong>[298-14-6]potassium bicarbonate</strong> in small portions. Heat the suspension to achieve complete dissolution, and evaporate in vacuum to dryness. Add ethanol to the residue and evaporate in vacuum again. Grind the residue with dry ether and filter precipitate, wash with dry ether and dry precipitate at 60C/1 mmHg, and obtain di-K salt of N-(5-hydroxynicotinoyl)-L-glutamic acid (III), recovery 0.27g (79.4%). [alpha]D20 +10.5 (c 1, water). Found, %: C 38.64; H 3.15; N 8.35. C11H10K2N2O6. Calculated, %: C 38.36; H 2.93; N 8.14. IR-spectrum (in KBr), cm-1. UV-spectrum (in water): lambda max. PMR spectrum (in D2O), internal standard: HMDS.

Reference： [1]Patent: EP2050737,2009,A1 .Location in patent: Page/Page column 3

23
[ 554-13-2 ]
[ 298-14-6 ]
silver nitrate [ No CAS ]
[ 7782-61-8 ]
[ 7699-41-4 ]
100Fe/3K/1.2Li/2Ag/25SiO₂ [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
		Example 10 [0074] This example describes the preparation and testing of a catalyst of composition 100Fe/3K/1.2Li/2Ag/25SiO2. An iron precipitate was prepared by adding a 1.0 M ammonium carbonate solution to a 1.0 M Fe(NO3)3.9H2O solution at a constant pH of 6.0. The iron precipitate was thoroughly washed with deionized water by vacuum filtration. An aqueous solution comprising Li2CO3, KHCO3 and silicic acid was added to a slurry comprising the iron precipitate. The slurry was spray dried and calcined in air at 300 C. for 5 h. The spray-dried product was impregnated with an aqueous solution of AgNO3 in an amount sufficient to deliver the desired loading of silver via the technique of incipient wetness impregnation. The catalyst was dried for 16 h at 120 C. and calcined in air at 280 C. for 2 h. The testing results may be found in Table 1, wherein CO conversion is expressed as mol % of CO converted to products, C1 selectivity is expressed as wt % of methane relative to total hydrocarbons produced, C5+ productivity is the mass of hydrocarbons of at least 5 carbons atoms produced per hour per kilogram catalyst, alpha is derived from the Anderson-Schulz-Flory plot and CO2 selectivity is mol % CO2 relative to CO converted to all products.

Reference： [1]Patent: US2004/122115,2004,A1 .Location in patent: Page 8

24
[ 298-14-6 ]
[ 4773-96-0 ]
[ 1158716-92-7 ]
[ 1158716-92-7 ]

Yield	Reaction Conditions	Operation in experiment
	In methanol; water;Product distribution / selectivity;	Example 5: Preparation of <strong>[4773-96-0]mangiferin</strong> monopotassiumMangiferin 42.2(0. lmol) is suspended in the mixture of water 1000ml and methanol 1000ml in reactor ,mixing round adequately. Potassium bicarbonate 10.0g(0. lmol) is dissolved in water , the concentration is 0.1 %( w/v) . The solution of potassium bicarbonate is added slowly into the <strong>[4773-96-0]mangiferin</strong> suspended solution while mixing round until the solution is clear , then the reaction solution is filtrated, appropriate quantity ethanol-dichloroform (7: 1 v/v) is added into the reaction solution, mixing round adequately . A lot of deposition is come into being , the reaction solution is filtrated to get the depositon, the solid substance is heated up no excess 60 C to dry .The yellow substance is <strong>[4773-96-0]mangiferin</strong> monopotassium . Its weight is 31.7g, the productivity is 75%. The purity of <strong>[4773-96-0]mangiferin</strong> monopotassium is 98.7% detected by HPLC.

Reference： [1]Patent: WO2009/65287,2009,A1 .Location in patent: Page/Page column 11

25
[ 298-14-6 ]
[ 173035-10-4 ]
[ 1372124-94-1 ]

Reference： [1]Journal of the American Chemical Society,2012,vol. 134,p. 6776 - 6784

26
[ 298-14-6 ]
[ 64-18-6 ]

Yield	Reaction Conditions	Operation in experiment
83.7%	With hydrogen; In water; at 200℃; under 45004.5 Torr; for 4h;Autoclave;	KHCO3 (1 mmol) and Raney copper (50 mg) were charged into a Teflon-lined high-pressure autoclave, and the reactor was charged at a rate of 10%. The reactor was sealed and charged with 6 MPa of hydrogen at a reaction temperature of 200 C,Reaction time 240min,After the reaction, the mixture was taken to filter the formic acid.The qualitative and quantitative analysis showed that the product was the main product, and the quantitative analysis showed that the yield was up to 83.7%. Industrial applications on the use of appropriate hydrothermal reactor, you can control the reaction temperature of 120 ~ 200 , water filling rate of 10%, the reaction of 60 ~ 420min. Through this reaction, KHCO3 can be converted into a large number of formic acid, easy to operate and good selectivity.
	With [{Ir(pentamethylcyclopentadienyl)(Cl)}2(4,4',6,6'-tetrahydroxybipyrimidine)](Cl2); hydrogen; In water; at 50℃; under 30003.0 Torr; for 8h;Catalytic behavior;	Catalytic Hydrogenation of CO2The catalytic reduction of C02 by 1, 2 and 3 was investigated under varied conditions that are summarized in Table 1. Entries 1-5 show selected results from other known systems for comparison. While rates of turnover frequency (TOF) as high as 348,000 h"1 (Entry 5) and turnover number (TON) as high as 3,500,000 (Entry 4) have been reported, extraordinary pressures (5-6MPa) combined with temperatures ranging from 120-200 C are required to achieve them. High pressures and temperatures decrease the efficiency of an energy-storage system. By contrast, at 0.1 MPa of 1 : 1 H2: C02 gas and T= 25 C, 2' afforded formate at a rate of 61 h"1 and turnover number (TON) of 7,200 yielding 0.36 M formate (entry 6, pH = 8.1); final concentrations of 0.66 M were obtained after 336 hours when 2 M KHCO3 is used (Table 1, entry 8). This is an improvement of nearly an order of magnitude over a previous report of 7 h"1 for 1' (entry 6), the only other catalyst that is active under ambient conditions. Rates and turnovers for 2' were increased to TOF = 53,800 h"1 and TON = up to 153,000, (1.70 M final formate) under pressurized conditions at relatively low temperature (Table 1, entries 9, 10 and 11, respectively). By comparison, 3 shows no reaction at room temperature after 8 hours (Table 1, Entry 14), and only 110 turnovers under pressurized conditions (Entry 9, T = 50 C, P = 1 MPa, 2 hrs). The change in the reaction rates between catalysts 2' and 3 clearly illustrates the effect of the ligand on the rate of catalytic CO2 hydrogenation. As with all previously reported systems, elevated temperature and pressure is required for 3 to hydrogenate C02, while 2' proceeds at ambient conditions.Table 1. Hydrogenation of C02 or Bicarbonate (1 M NaHC03, pH = 8.4) in H20 (1:1 H2. CO2). a Averaged rate for initial 1 h. b The reaction carried out in 2 M KHCO3. c average rate for entire reaction. d Total pressure at room temperature in 1 MKOH (5 mL) and THF (0.1 mL). ^Indicates a PNP-type pincer ligand. See cited reference for structure. Procedure for catalytic hydrogenation of C02/bicarbonate at atmospheric conditions: A degassed aqueous NaHC03 or KHC03 solution (20 mL) of the complex was stirred at atmospheric H2:C02 (1 : 1). At appropriate intervals, samples were removed and analyzed by HPLC. The initial TOF was calculated from the initial part of the reaction (typically 30 min).

Reference： [1]Patent: CN106083559,2016,A .Location in patent: Paragraph 0070-0074
[2]Patent: WO2013/40013,2013,A2 .Location in patent: Page/Page column 21; 22; 23; 24; 26; 27; 28
[3]Science,2013,vol. 342,p. 1382 - 1385

27
[ 95-56-7 ]
[ 298-14-6 ]
[ 3883-95-2 ]

Reference： [1]RSC Advances,2014,vol. 4,p. 9673 - 9679

28
[ 298-14-6 ]
[ 95-48-7 ]
[ 83-40-9 ]

Reference： [1]RSC Advances,2014,vol. 4,p. 9673 - 9679

29
[ 7786-61-0 ]
[ 298-14-6 ]
[ 1370712-42-7 ]

Reference： [1]RSC Advances,2014,vol. 4,p. 9673 - 9679

30
[ 95-57-8 ]
[ 298-14-6 ]
[ 1829-32-9 ]

Reference： [1]RSC Advances,2014,vol. 4,p. 9673 - 9679

31
[ 634-65-1 ]
[ 298-14-6 ]
[ 90536-63-3 ]

Yield	Reaction Conditions	Operation in experiment
24%	In water; at 80℃; for 8h;	2,4-Dihydroxy-3,5-dimethylbenzoic acid (10) A mixture of compound 9 (0.5 g, 3.6 mmol) and KHCO3 (1.8 g, 18.1 mol) in water (6 mL) was stirred at 80 C. for 8 h. The insoluble material was removed by filtration (celite), and the filtrate was acidified by conc. HCl (pH=3). The resulting solid was collected by filtration, and the precipitate was dried in vacuo to afford the title compound as brown fine powder (160 mg, 24%). This material was used to next step without further purification. 1H-NMR (CD3OD, 400 MHz): delta7.41 (1H, s), 2.11 (3H, s), 2.05 (3H, s). 13C-NMR (CD3OD, 100 MHz) delta172.9, 159.7, 128.8, 115.7, 110.5, 107.5, 15.1, 7.1.

Reference： [1]Organic Letters,2019,vol. 21,p. 4520 - 4524
[2]Patent: US2014/51863,2014,A1 .Location in patent: Paragraph 0205; 0249; 0269-0270

32
[ 298-14-6 ]
[ 72551-10-1 ]
[ 92288-02-3 ]