[ CAS No. 101-61-1 ]

Name: 101-61-1|Bis[4-(dimethylamino)phenyl]methane|98%
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Quality Control of [ 101-61-1 ]

COA NMR CNMR HPLC LC-MS

Related Doc. of [ 101-61-1 ]

SDS Specification

Alternatived Products of [ 101-61-1 ]

Product Details of [ 101-61-1 ]

CAS No. :	101-61-1	MDL No. :	MFCD00008317
Formula :	C₁₇H₂₂N₂	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	JNRLEMMIVRBKJE-UHFFFAOYSA-N
M.W :	254.37	Pubchem ID :	7567
Synonyms :

Calculated chemistry of [ 101-61-1 ]

Physicochemical Properties

Num. heavy atoms :	19
Num. arom. heavy atoms :	12
Fraction Csp3 :	0.29
Num. rotatable bonds :	4
Num. H-bond acceptors :	0.0
Num. H-bond donors :	0.0
Molar Refractivity :	84.31
TPSA :	6.48 Å²

Pharmacokinetics

GI absorption :	High
BBB permeant :	Yes
P-gp substrate :	No
CYP1A2 inhibitor :	Yes
CYP2C19 inhibitor :	Yes
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	Yes
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-5.58 cm/s

Lipophilicity

Log Po/w (iLOGP) :	3.03
Log Po/w (XLOGP3) :	3.2
Log Po/w (WLOGP) :	3.41
Log Po/w (MLOGP) :	3.7
Log Po/w (SILICOS-IT) :	3.13
Consensus Log Po/w :	3.29

Druglikeness

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

Water Solubility

Log S (ESOL) :	-3.64
Solubility :	0.0587 mg/ml ; 0.000231 mol/l
Class :	Soluble
Log S (Ali) :	-3.01
Solubility :	0.25 mg/ml ; 0.000982 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-5.54
Solubility :	0.000725 mg/ml ; 0.00000285 mol/l
Class :	Moderately soluble

Medicinal Chemistry

PAINS :	2.0 alert
Brenk :	0.0 alert
Leadlikeness :	0.0
Synthetic accessibility :	1.74

Safety of [ 101-61-1 ]

Signal Word:	Danger	Class:	9
Precautionary Statements:	P201-P273-P308+P313	UN#:	3077
Hazard Statements:	H350-H410	Packing Group:	Ⅲ
GHS Pictogram:

Application In Synthesis of [ 101-61-1 ]

* 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 [ 101-61-1 ]
Downstream synthetic route of [ 101-61-1 ]

[ 101-61-1 ] Synthesis Path-Upstream 1~3

1
[ 523-27-3 ]
[ 1564-64-3 ]
[ 25882-75-1 ]
[ 101-61-1 ]

Reference： [1] Zeitschrift fuer Naturforschung, Teil B: Anorganische Chemie, Organische Chemie, 1981, vol. 36, # 7, p. 846 - 851

2
[ 523-27-3 ]
[ 121-69-7 ]
[ 1564-64-3 ]
[ 25882-75-1 ]
[ 3571-43-5 ]
[ 101-61-1 ]

Reference： [1] Zeitschrift fuer Naturforschung, Teil B: Anorganische Chemie, Organische Chemie, 1981, vol. 36, # 7, p. 846 - 851

3
[ 5293-94-7 ]
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[ 138-24-9 ]
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Reference： [1] Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1980, p. 1420 - 1426

[ 101-61-1 ] Synthesis Path-Downstream 1~41

1
[ 119-58-4 ]
[ 101-61-1 ]

Reference： [1]European Journal of Organic Chemistry,2009,p. 4346 - 4351
[2]Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences,1910,vol. 150,p. 179
Bulletin de la Societe Chimique de France,1910,vol. <4> 7,p. 358

2
[ 101-61-1 ]
[ 119-58-4 ]

Reference： [1]Tetrahedron Letters,1989,vol. 30,p. 957 - 958
[2]Patent: DE133896,
[3]Chemische Berichte,1902,vol. 35,p. 367
[4]Patent: DE133896,
[5]Grundlegende Operationen der Farbenchemie,5.Aufl.<Wien 1943>,S.132,

3
[ 101-61-1 ]
[ 1226-46-6 ]

Reference： [1]Justus Liebigs Annalen der Chemie,1890,vol. 259,p. 313
Justus Liebigs Annalen der Chemie,1896,vol. 291,p. 351
[2]Chemisches Zentralblatt,1928,vol. 99,p. 662
[3]Journal of the American Chemical Society,1933,vol. 55,p. 2515,2518
[4]Patent: DE287994,
Fortschr. Teerfarbenfabr. Verw. Industriezweige,vol. 12,p. 207

4
[ 101-61-1 ]
[ 90-94-8 ]

Reference： [1]Tetrahedron Letters,2005,vol. 46,p. 8013 - 8015
[2]Chemische Berichte,1906,vol. 39,p. 1274

5
[ 50-00-0 ]
[ 121-69-7 ]
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Yield	Reaction Conditions	Operation in experiment
99.4%	With aluminum (III) chloride; sodium pyrophosphate; hydrazine hydrate; pyrographite; ammonium hydroxide; 1-butyl-3-methylimidazolium chloride; sodium hydroxide; at 130℃; for 0.0222222h;	(1) Mixing multi-walled carbon nanotubes with an aqueous solution of sodium hydroxide having a solute content of 8%, multi-walled carbon nanotubes and sodium hydroxide solution mixed with mass-to-wall carbon nanotubes: sodium hydroxide solution = 1 : 4, the mixture is placed in a hydrothermal reaction kettle, the kettle body is sealed, the mixture is heated to 150 C for 40 min, and after cooling, it is naturally cooled to normal temperature;(2) The mixture in the kettle body is taken out, the microporous membrane is filtered, and the solid phase is washed with deionized water until the solution is neutral, and then filtered and dried to obtain a solid phase A;(3) Mixing 1-butyl-3-methylimidazolium chloride with aluminum chloride in a molar ratio of 1:3 (molar ratio 1-butyl-3-methylimidazolium chloride: aluminum chloride=1) : 3), the mixture is heated to 80 C for 2 h, after the end of the heat, naturally cooled to room temperature, allowed to stand, liquid separation, the lower layer of liquid is obtained to obtain ionic liquid;(4) Disposing ammonia water having a solute mass percentage of 6%, adding the solid phase A to the ammonia water, stirring the ammonia water, sequentially adding sodium pyrophosphate and the ionic liquid to obtain a mixed liquid, and mixing In the liquid, the solid phase A, ammonia water, sodium pyrophosphate and ionic liquid mass ratio ammonia: solid phase A: sodium pyrophosphate: ionic liquid = 10:1.4:0.2:0.7; after the completion of the feed, the mixture is heated to 90~ At 95 C, an aqueous solution of hydrazine hydrate (60% by mass of hydrazine hydrate) was added to the mixture, and the addition mass of the hydrazine hydrate aqueous solution was 1/8 of the mass of the mixture, and the mixture was further incubated for 1 hour to be condensed and refluxed, and then naturally cooled to At room temperature, the microporous membrane was suction filtered, and the solid phase was dried at 90 C or lower to obtain the catalyst used in the present example.Preparation of bis-(4-N,N-dimethylaminophenyl)methane:1) In the tank of the raw material 1 the catalyst prepared in this example was added to the mass fraction of 37% formaldehyde aqueous solution, the catalyst and the formaldehyde in the aqueous formaldehyde mass ratio catalyst / formaldehyde = 0.046: 1;2) Adjust the flow rate of the metering pump,The molar ratio of formaldehyde in the raw material 1 flowing into the reaction module to the raw material 2 (N, N-dimethylaniline) is 1:2, and the raw material 1 and the raw material 2 are directly charged into the preheating module after passing through the metering pump. Entering the reaction module mixing reaction, controlling the preheating temperature and the reaction temperature to be 130 C, adjusting the number of reaction modules such that the reaction residence time is 80 seconds;3) The reaction liquid obtained from the outlet of the microchannel reactor is directly flowed into a collector containing ice water, stirred while being connected to the liquid, and the solid is continuously precipitated. After the reaction liquid stops flowing, stirring is continued for 25 minutes, and the filter cake is filtered. After washing twice with water, it is then charged with hot ethanol, left to stand, and the supernatant is subjected to microfiltration membrane filtration, liquid phase recrystallization, and dried under reduced pressure at room temperature to obtain white flaky crystals, and the product is detected as double-(4) The yield of -N,N-dimethylaminophenyl)methane was 99.4%.
63%		4, 4 '-Bis(dimethylamino)diphenylmethaneAcetic acid (9.91 g, 0.165 mol) was added drop wise to Lambda/,Lambda/-dimethylaniline (10.00 g, 82.6 mmol). Paraformaldehyde (1.23 g, 41.3 mmol) was added with stirring and the mixture heated to reflux for 90 minutes. The reaction was allowed to cool, before dilution with ice water (50 cm3). The reaction was basified with 10 % sodium hydroxide (pH 9) and the resulting solid collectecTby filtratlonT The solid was washed with water (2 x 5 cm3)7and' dried. Recrystallisation from ethanol gave the target material as a colourless solid (6.54 g, 63%).deltaH (250 MHz, CDCI3): 7.05 (4H, d, J = 8.5 Hz, CH), 6.68 (4H1 d, J = 8.5 Hz1 CH), 3.80 (2H, s, CH2), 2.62 (12H, s, CH3); deltac (62.5 MHz, CDCI3): 149.1 , 130.4, 129.5, 113.1 , 41.0, 39.9; vmax (KBr)/cm-1: 2886, 2797, 1615, 1499, 1361 , 1230, 1070, 828, 796; m/z (ESI): 253.2 (100%, [M-H]+).
	With triphenyl(4-sulfonylbutyl)phosphonium trifluoromethanesulfonate; at 160℃; for 12h;	General procedure: The reaction was carried out using a 25 mL round-bottomed flask equipped with a magnetic stirrer. In a typical experiment, substituted aromatics (80 mmol), formaldehyde (10 mmol) and IL (1.8 mmol) were charged into the flask, then the flask was sealed up and the reaction was performed at 140-170 C for 2-12 h. After reaction, the flask was cooled to room temperature and the IL was separated from the reaction mixture by centrifugation. The final products were identified and quantitatively analyzed by gas chromatography/mass spectrometry (GC/MS)(Agilent 7890A/5975C) and GC (Agilent 6890 equipped with a SE-54 capillary column), respectively. A known amount of n-heptane was added as an internal standard to the product mixture before the GC analysis. For the recycling of catalyst, the IL was extracted with n-hexane (5 mL x 3) and dried in a vacuo for 8 h before reusing.

Reference： [1]Patent: CN110204448,2019,A .Location in patent: Paragraph 0016-0030
[2]Tetrahedron Letters,2009,vol. 50,p. 7024 - 7027
[3]Heterocycles,2001,vol. 55,p. 2305 - 2313
[4]Patent: WO2010/67078,2010,A2 .Location in patent: Page/Page column 76
[5]Grundlegende Operationen der Farbenchemie, 5.Aufl.<Wien 1943>,S.132,
[6]Patent: US1954484,1932,
[7]Journal of Organic Chemistry,1952,vol. 17,p. 1128,1132
[8]Journal of the American Chemical Society,1912,vol. 34,p. 33
[9]Russian Journal of Organic Chemistry,2000,vol. 36,p. 1650 - 1655
[10]Russian Journal of Organic Chemistry,2000,vol. 36,p. 1650 - 1655
[11]Synthetic Communications,2013,vol. 43,p. 1909 - 1914
[12]Catalysis Letters,2016,vol. 146,p. 1264 - 1272

6
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Reference： [1]Journal of Organic Chemistry,2013,vol. 78,p. 5218 - 5226
[2]Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences,1903,vol. 137,p. 188
    Bulletin de la Societe Chimique de France,1903,vol. <3>29,p. 941
[3]Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences,1903,vol. 137,p. 188
    Bulletin de la Societe Chimique de France,1903,vol. <3>29,p. 941
[4]Chemische Berichte,1881,vol. 14,p. 2174
[5]Chemische Berichte,1879,vol. 12,p. 813
[6]Chemische Berichte,1879,vol. 12,p. 680
[7]Chemische Berichte,1879,vol. 12,p. 680
[8]Chemische Berichte,1887,vol. 20,p. 2421
[9]Chemische Berichte,1887,vol. 20,p. 2421
[10]Chemische Berichte,1894,vol. 27,p. 3166
[11]Journal fur praktische Chemie (Leipzig 1954),1896,vol. <2>54,p. 251
[12]Chemiker-Zeitung, Chemische Apparatur,1900,vol. 24,p. 564
[13]Chemische Berichte,1879,vol. 12,p. 1689
    Justus Liebigs Annalen der Chemie,1881,vol. 206,p. 117
[14]Journal fur praktische Chemie (Leipzig 1954),1887,vol. <2> 36,p. 237
[15]Justus Liebigs Annalen der Chemie,1887,vol. 242,p. 341
[16]Justus Liebigs Annalen der Chemie,1887,vol. 242,p. 341
[17]Chemische Berichte,1901,vol. 34,p. 2036
[18]Chemische Berichte,1909,vol. 42,p. 1604
[19]Chemische Berichte,1909,vol. 42,p. 1604
[20]Chemisches Zentralblatt,1900,vol. 71,p. 594
[21]Bulletin de la Societe Chimique de France,1923,vol. <4>33,p. 1809
[22]Chemisches Zentralblatt,1911,vol. 82,p. 879
[23]Chemisches Zentralblatt,1911,vol. 82,p. 879
[24]Chemisches Zentralblatt,1911,vol. 82,p. 879
[25]Justus Liebigs Annalen der Chemie,1915,vol. 409,p. 183
[26]Chemisches Zentralblatt,1911,vol. 82,p. 879
[27]Chemiker-Zeitung, Chemische Apparatur,1889,vol. 13,p. 407
    Chemische Berichte,1889,vol. 22,p. 1006
[28]Helvetica Chimica Acta,1922,vol. 5,p. 169
[29]Chemische Berichte,1880,vol. 13,p. 2196
[30]Chemische Berichte,1879,vol. 12,p. 1168
[31]Synthesis,1990,p. 341 - 346

7
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Reference： [1]Journal of the American Chemical Society,1985,vol. 107,p. 6970 - 6975
[2]Journal of Organic Chemistry,1981,vol. 46,p. 2579 - 2581
[3]Monatshefte fur Chemie,1914,vol. 35,p. 525
[4]Journal of the Chemical Society,1957,p. 3755
[5]Chemische Berichte,1889,vol. 22,p. 1879

8
[ 1226-46-6 ]
[ 1261-86-5 ]
[ 101-61-1 ]

Reference： [1]Chemistry Letters,1994,p. 611 - 614
[2]Journal of Organic Chemistry,1996,vol. 61,p. 372 - 375
[3]Chemistry Letters,1994,p. 611 - 614

9
[ 1226-46-6 ]
[ 1261-86-5 ]
[ 83463-89-2 ]
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Reference： [1]Journal of Organic Chemistry,1983,vol. 48,p. 250 - 252

10
[ 124-38-9 ]
[ 83-32-9 ]
[ 55720-22-4 ]
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Yield	Reaction Conditions	Operation in experiment
1: 1.1% 2: 22%	With <i>N</i>,<i>N</i>-dimethyl-aniline In dimethyl sulfoxide for 90h; Irradiation;

Reference： [1]Minabe, Masahiro; Isozumi, Keisuke; Kawai, Ken-ichi; Yoshida, Masaaki [Bulletin of the Chemical Society of Japan, 1988, vol. 61, # 6, p. 2063 - 2066]

11
[ 67-68-5 ]
[ 121-69-7 ]
[ 101-61-1 ]

Reference： [1]Organic and Biomolecular Chemistry,2015,vol. 13,p. 9742 - 9745
[2]Bulletin of the Chemical Society of Japan,1988,vol. 61,p. 2063 - 2066

12
[ 121-69-7 ]
[ 101-61-1 ]
[ 93-61-8 ]

Reference： [1]Journal of the American Chemical Society,1985,vol. 107,p. 6417

13
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sulfur [ No CAS ]
[ 1226-46-6 ]

Reference： [1]Justus Liebigs Annalen der Chemie,1890,vol. 259,p. 313
Justus Liebigs Annalen der Chemie,1896,vol. 291,p. 351

14
[ 101-61-1 ]
sulfur [ No CAS ]
sodium sulfide [ No CAS ]
[ 1226-46-6 ]

Reference： [1]Patent: DE287994,
Fortschr. Teerfarbenfabr. Verw. Industriezweige,vol. 12,p. 207

15
[ 625-56-9 ]
[ 7664-93-9 ]
[ 7732-18-5 ]
[ 121-69-7 ]
[ 101-61-1 ]

Reference： [1]Bulletin de la Societe industrielle de Mulhouse,vol. 69,p. 311,312
Chemisches Zentralblatt,1900,vol. 71,p. 594

16
[ 625-56-9 ]
[ 121-69-7 ]
ZnCl₂ [ No CAS ]
[ 101-61-1 ]

Reference： [1]Bulletin de la Societe industrielle de Mulhouse,vol. 69,p. 311,312
Chemisches Zentralblatt,1900,vol. 71,p. 594

17
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[ 121-69-7 ]
[ 807-20-5 ]
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Yield	Reaction Conditions	Operation in experiment
	anschl. Zersetzen mit Wasser;

Reference： [1]Lemoult [Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, 1905, vol. 140, p. 248]

18
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[ 366-29-0 ]
[ 548-62-9 ]
[ 101-61-1 ]

Yield	Reaction Conditions	Operation in experiment
1: 34% 2: 19% 3: 36%	With bentonitic clay for 0.416667h; Microwave irradiation;

Reference： [1]Lopez-Cortes; Penieres-Carrillo; Ortega-Alfaro; Gutierrez-Perez; Toscano; Alvarez-Toledano [Canadian Journal of Chemistry, 2000, vol. 78, # 10, p. 1299 - 1304]

19
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[ 101-61-1 ]

Reference： [1]Tetrahedron,2007,vol. 63,p. 6051 - 6055

20
[ 2426-07-5 ]
[ 101-61-1 ]
None [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With acetic acid In DMF (N,N-dimethyl-formamide) at 20 - 50℃; for 336h;	4 Procedure for synthesizing an array of 96 polyionenes using dianilines and diepoxides Stock solutions (3.2M) of 12 different diepoxides, which are shown below, were prepared in DMF. One-half ML of each sample was added to 8 ml tared and labeled vials which were set up in an 8X12 array. The 8 different dianiline materials, which are also shown below, were added neat to their appropriate vials (1.6mmol) and 1 molar equivalent of acetic acid was added to each sample, as well as 250 microliters of DMF. The samples were placed on a HEATER/SHAKER block at room temperature and shaken for 7 days. One molar equivalent of acetic acid was added AFTER-24 hours. Two more molar equivalents of acetic acid were added after 48 hours. After 72 hours, the heat was turned up to 50C and another equivalent of acetic acid was added to any sample that was not fully dissolved. After 7 days of heating/shaking the samples were cooled to room temperature and precipitated with ether. Approximately 3 mls of ether were added to each sample. The sample was vortexed and allowed to settle. The ether was decanted off. This precipitation procedure was repeated a total of 3 times. The samples were air dried for approximately 17 hours then dissolved in water. A small piece of 500 molecular weight cut-off (MWCO) dialysis membrane was placed on the top of the vial. An open top screw cap was put on the vial to secure the membrane in place. The samples were placed upside down resting on a cap into a 100 ml graduated cylinder filled with deionized water. The water was changed each day for a week. The samples were then dried on the speed vacuum at 45C for approximately 48 hours. A yield was obtained. Solutions of the samples were prepared at L OMG/ML and 1 MG/ML in water.

Reference： [1]Current Patent Assignee: SANOFI - WO2004/46109, 2004, A2 Location in patent: Page 43-45

21
[ 5493-45-8 ]
[ 101-61-1 ]
None [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With acetic acid In DMF (N,N-dimethyl-formamide) at 20 - 50℃; for 336h;	4 Procedure for synthesizing an array of 96 polyionenes using dianilines and diepoxides Stock solutions (3.2M) of 12 different diepoxides, which are shown below, were prepared in DMF. One-half ML of each sample was added to 8 ml tared and labeled vials which were set up in an 8X12 array. The 8 different dianiline materials, which are also shown below, were added neat to their appropriate vials (1.6mmol) and 1 molar equivalent of acetic acid was added to each sample, as well as 250 microliters of DMF. The samples were placed on a HEATER/SHAKER block at room temperature and shaken for 7 days. One molar equivalent of acetic acid was added AFTER-24 hours. Two more molar equivalents of acetic acid were added after 48 hours. After 72 hours, the heat was turned up to 50C and another equivalent of acetic acid was added to any sample that was not fully dissolved. After 7 days of heating/shaking the samples were cooled to room temperature and precipitated with ether. Approximately 3 mls of ether were added to each sample. The sample was vortexed and allowed to settle. The ether was decanted off. This precipitation procedure was repeated a total of 3 times. The samples were air dried for approximately 17 hours then dissolved in water. A small piece of 500 molecular weight cut-off (MWCO) dialysis membrane was placed on the top of the vial. An open top screw cap was put on the vial to secure the membrane in place. The samples were placed upside down resting on a cap into a 100 ml graduated cylinder filled with deionized water. The water was changed each day for a week. The samples were then dried on the speed vacuum at 45C for approximately 48 hours. A yield was obtained. Solutions of the samples were prepared at L OMG/ML and 1 MG/ML in water.

Reference： [1]Current Patent Assignee: SANOFI - WO2004/46109, 2004, A2 Location in patent: Page 43-45

22
[ 101-90-6 ]
[ 101-61-1 ]
None [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With acetic acid In DMF (N,N-dimethyl-formamide) at 20 - 50℃; for 336h;	4 Procedure for synthesizing an array of 96 polyionenes using dianilines and diepoxides Stock solutions (3.2M) of 12 different diepoxides, which are shown below, were prepared in DMF. One-half ML of each sample was added to 8 ml tared and labeled vials which were set up in an 8X12 array. The 8 different dianiline materials, which are also shown below, were added neat to their appropriate vials (1.6mmol) and 1 molar equivalent of acetic acid was added to each sample, as well as 250 microliters of DMF. The samples were placed on a HEATER/SHAKER block at room temperature and shaken for 7 days. One molar equivalent of acetic acid was added AFTER-24 hours. Two more molar equivalents of acetic acid were added after 48 hours. After 72 hours, the heat was turned up to 50C and another equivalent of acetic acid was added to any sample that was not fully dissolved. After 7 days of heating/shaking the samples were cooled to room temperature and precipitated with ether. Approximately 3 mls of ether were added to each sample. The sample was vortexed and allowed to settle. The ether was decanted off. This precipitation procedure was repeated a total of 3 times. The samples were air dried for approximately 17 hours then dissolved in water. A small piece of 500 molecular weight cut-off (MWCO) dialysis membrane was placed on the top of the vial. An open top screw cap was put on the vial to secure the membrane in place. The samples were placed upside down resting on a cap into a 100 ml graduated cylinder filled with deionized water. The water was changed each day for a week. The samples were then dried on the speed vacuum at 45C for approximately 48 hours. A yield was obtained. Solutions of the samples were prepared at L OMG/ML and 1 MG/ML in water.

Reference： [1]Current Patent Assignee: SANOFI - WO2004/46109, 2004, A2 Location in patent: Page 43-45

23
[ 101-61-1 ]
3, 6-bis(dimethylamino)thioxanthylium zinc trichloride [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
10%		3, 6-Bis(dimethylamino)thioxanthylium zinc trichlorideFrom R. H. Nealey, J. S. Driscoll, J. Hetero. Chem. 1966, 3, 228.Sulphur (10.0 g, 0.33 mol) was added in small portions with vigorous stirring to fuming sulphuric acid (50 g) over a 15 minute period. The reaction was cooled to 5 0C and 4,4'- bis(dimethylamino)diphenylmethane (10.00 g, 39.4 mmol) was added at such a rate to maintain the temperature below 20 0C. The reaction was then stirred at ambient temperature for 90 minutes and then poured into 250 cm3 of ice. The resulting red mixture was boiled for 1 hour and then allowed to cool to ambient temperature before filtration. A 40% aqueous solution of zinc chloride was added to the filtrate until a green colour was observed. The mixture was cooled in an ice bath and the solid collected by filtration. The solid was dried overnight under reduced pressure to give the target material as a green solid (1.81 g, 10%).deltaH (250 MHz, DMSO-Cf6): 8.68 (1 H, s, CH), 8.01 (2H1 d, J = 9 Hz, CH)1 7.37 (2H, d, J = 3 Hz, CH)1 7.25 (2H, dd, J = 9 Hz, 3 Hz1 CH), 3.28(12H, s, CH3); deltac (62.5 MHz, DMSO-Cf6): 154.5, 149.3, 143.6, 138.1 , 1 19.0, 1 16.2, 106.4, 41.0; vmax (KBr)/crtau1: 3755, 3381 , 1614, 1599, 1527, 1395, 1 179, 1073; m/z (ESI): 283.2 (100%, [M-ZnCI3D-

Reference： [1]Patent: WO2010/67078,2010,A2 .Location in patent: Page/Page column 77

24
[ 101-61-1 ]
[ 1230-64-4 ]

Reference： [1]Angewandte Chemie - International Edition,2011,vol. 50,p. 12595 - 12599

25
[ 110-18-9 ]
[ 121-69-7 ]
[ 101-61-1 ]

Reference： [1]Chemical Communications,2012,vol. 48,p. 5928 - 5930
[2]RSC Advances,2013,vol. 3,p. 10272 - 10276

26
[ 121-69-7 ]
[ 366-29-0 ]
[ 101-61-1 ]

Reference： [1]ARKIVOC,2013,vol. 2013,p. 36 - 48
[2]Journal of Organic Chemistry,2013,vol. 78,p. 5218 - 5226
[3]Journal of Organic Chemistry,2013,vol. 78,p. 5218 - 5226

27
[ 108-24-7 ]
[ 101-61-1 ]
N,N'-(methylenebis(4,1-phenylene))bis(N-methylacetamide) [ No CAS ]

Reference： [1]Journal of Organic Chemistry,2013,vol. 78,p. 5638 - 5646

28
[ 121-69-7 ]
[ 366-29-0 ]
[ 403-46-3 ]
[ 393-56-6 ]
[ 556-21-8 ]
[ 101-61-1 ]
[ 100-10-7 ]

Yield	Reaction Conditions	Operation in experiment
	With N-fluorobis(benzenesulfon)imide; In chloroform; at 25℃; for 10h;	General procedure: To a solution of amine (0.1mmol) in 3mL of CHCl3 the corresponding amount of NFSI in 2mL of the same solvent was added. The reaction mass was stirred at selected temperature during the time indicated in Table 1. The resulting solution was washed with water (2×15mL), dried over Na2SO4 and evaporated to dryness. The residue was analyzed either by GC/MS or separated by column chromatography.

Reference： [1]Journal of Fluorine Chemistry,2013,vol. 154,p. 67 - 72

29
[ 121-69-7 ]
[ 366-29-0 ]
[ 403-46-3 ]
[ 393-56-6 ]
[ 698-01-1 ]
[ 556-21-8 ]
[ 101-61-1 ]
[ 100-10-7 ]
[ 98-09-9 ]

Yield	Reaction Conditions	Operation in experiment
6%	With zirconium(IV) chloride; N-fluorobis(benzenesulfon)imide; In chloroform; for 5h;Reflux;	General procedure: To a solution of amine (0.1mmol) in 3mL of CHCl3 the corresponding amount of NFSI in 2mL of the same solvent was added. The reaction mass was stirred at selected temperature during the time indicated in Table 1. The resulting solution was washed with water (2×15mL), dried over Na2SO4 and evaporated to dryness. The residue was analyzed either by GC/MS or separated by column chromatography.

Reference： [1]Journal of Fluorine Chemistry,2013,vol. 154,p. 67 - 72

30
[ 53534-14-8 ]
[ 101-61-1 ]
(3aSR,9bRS)-2-(3-bromophenyl)-8-(4-(dimethylamino)benzyl)-5-methyl-3a,4,5,9b-tetrahydro-1H-pyrrolo[3,4-c]quinoline-1,3(2H)-dione [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
52%	With eosin y; In acetonitrile; at 20℃; for 24h;Irradiation; Green chemistry;	General procedure: To a 10 mL round bottom flask equipped with magnetic stirring bar was added N,N-dimethylaniline (1, 0.5 mmol, 2.0 equiv), maleimide (2, 0.25 mmol, 1.0 equiv),Eosin Y (water soluble, 0.03 equiv), and MeCN (3 mL). The solution was irradiated with two 9 W blue LEDs (distance app. 5 cm) at room temperature in an air atmosphere. After the completion of the reaction (indicated by TLC), the solvent was removed under reduced pressure. The residue was purified by flash columnchromatography on silica gel (petroleum ether/ethyl acetate 15:1-10:1) to give theproduct 3.

Reference： [1]Beilstein Journal of Organic Chemistry,2015,vol. 11,p. 425 - 430

31
[ 64-19-7 ]
[ 121-69-7 ]
[ 579-10-2 ]
[ 101-61-1 ]

Yield	Reaction Conditions	Operation in experiment
13%; 51%	With iron(III) chloride hexahydrate; oxygen; pivalic anhydride; In toluene; at 85℃; for 24h;	General procedure: To a mixture of amine 1 (0.5 mmol), pivalic anhydride (1.0mmol), carboxylic acid 2 (1.0 mmol), and FeCl3*6H2O (0.1mmol), toluene (2.0 mL) were added under nitrogen at roomtemperature. Nitrogen flow was closed and oxygen was then introduced into the Schlenk tube via a needle from an oxygen balloon. The resulting mixture was stirred under 85 C for 24 h. The temperature of reaction was cooled to roomtemperature and the solvent was evaporated in vacuo. The residue was purified by flash column chromatography on silica gel with ethyl acetate/petroleum ether (v/v=1:10) as aneluent to afford the pure product 3 [8].

Reference： [1]Science China Chemistry,2015,vol. 58,p. 1310 - 1315

32
[ 101-61-1 ]
10H-dibenz[b,e]iodinium, 3 ,7-bis(dimethylamino)-, iodide, dihydroiodide [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
42%	With potassium iodate; sulfuric acid; iodine; at -10 - 20℃; for 1.5h;	Compound 38 1 OH-Dibenz[b,el iodinium, 3 ,7-bis (dimethylamino)-, methanesulfonate 1 OH-Dibenz [b,e] iodinium, 3 ,7-bis(dimethylamino)-, iodide, dihydroiodide[0139] A solution of iodine (770 mg, 2.97 mmol) and potassium iodate (2.00 g, 9.34 mmol) in concentrated sulfuric acid (28.0 mL) was stuffed at room temperature for 5 hours to give a yellow suspension of iodyl sulfate. The mixture was cooled to -10 to -15 C and a solution of 4,4?-methylenebis(N,N-dimethylaniline) (3.866 g, 15.2 mmol) in conc. sulfuric acid (7.6 mL) was added, keeping the temperature below -5 C. The reaction mixture was stirred at -5 C for 1.5 hours, then poured onto crushed ice (250 g) and sat. aq. NaHSO3 was added until a negative starch-12 test was obtained. A solution of potassium iodide (17.0 g, 102 mmol) in water (40.0 mL) was added and the resulting suspension was allowed to stand at 5 C for two days. Thesuspension was suction filtered and the solid was washed with water (4 x 50 mL) and acetone (4 x 50 mL). The solid was triturated with acetone (15 mL) and suction filtered. The solid was washed with acetone (2 x 15 mL) and dried in vacuo at room temperature to give 1OH- dibenz[b,e]iodinium, 3 ,7-bis(dimethylamino)-, iodide, dihydroiodide (4.9 g, 42%).

Reference： [1]Patent: WO2015/157145,2015,A1 .Location in patent: Paragraph 0139

33
[ 613-90-1 ]
[ 101-61-1 ]
2,2'-((methylenebis(4,1-phenylene))bis(methylazanediyl))diacetonitrile [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
80%	With tert.-butylhydroperoxide; ferrous(II) sulfate heptahydrate; In methanol; for 30h;Reflux;	General procedure: Method A: The mixture of FeSO47H2O (6.95 mg, 0.025 mmol),N,N-dimethylaniline (60.55 mg, 0.5 mmol), benzoyl cyanide (78.62 mg, 0.6 mmol) in CH3OH (2.0 mL) was stirred under an oxygen atmosphere at room temperature for 16 h. After the tertiary amine was completely consumed (checked by TLC), the reaction mixture was filtrated and concentrated under reduced pressure. The residue was then purified by column chromatography on silicagel (petroleum ether/ethyl acetate, 4:1) to afford 2a (66.5 mg, 91%yield) as a yellow oil. Method B: The mixture of FeSO47H2O (6.95 mg, 0.025 mmol),N,N-dimethylaniline (60.55 mg, 0.5 mmol), benzoyl cyanide (78.62 mg, 0.6 mmol), and TBHP (70% aqueous solution, 108 mL,0.75 mmol) in CH3OH (2.0 mL) was stirred under air at room temperature for 16 h. After the tertiary amine was completely consumed, the reaction mixture was filtrated and concentrated under reduced pressure. The residue was then purified by columnchromatography on silica gel (petroleum ether/ethyl acetate, 4:1) to afford 2a (64.3 mg, 88% yield) as a yellow oil.

Reference： [1]Tetrahedron,2016,vol. 72,p. 2359 - 2363

34
[ 101-61-1 ]
[ 32751-42-1 ]

Yield	Reaction Conditions	Operation in experiment
15 g		In a three-necked flask added the 30g of ethylene glycol as solvent, than added the 4, 4-Dimethylamino diphenylmethane (methane bass) 15g, Sulfur 6g, pass through the ammonia gas for stirring reaction, the reaction temperature was controlled at 140 ± 5 C for 5 h, after that added the Ammonia chloride 8 g, and continue the ammonia reaction for 16h, after that cooling, crystallization and filtration than added the 30% brine for recrystallization, filtration, drying than we get products about 15 g. With the 80 % of crude content, after silica gel column purification, we have eluent as Dichloromethane and methanol, the eluent was protected from the light, than drying at low temperature after that we gate crude product.

Reference： [1]Patent: CN103755591,2016,B .Location in patent: Paragraph 0011; 0012

35
[ 101-61-1 ]
[ 65111-92-4 ]

Yield	Reaction Conditions	Operation in experiment
	With hydrazine hydrate; In ethanol; at 80℃; for 72h;	2g 4,4'-(Dimethylamino) benzhydryl were added to a 100 mL round bottom flask,Adding 50mL of anhydrous ethanol and 5g of hydrazine hydrate with 85%The reaction was carried out at a temperature of 80 C with stirring for 72 hours,After completion of the reaction,25 mL of ethanol in the reaction solution was distilled off under reduced pressure,The remaining reaction liquid was cooled and crystallized in an ice-water bath for 30 minutes. The product was filtered through a sand-core funnel and the product was washed three times with distilled water and dried under vacuum at 40 C for 24 hours.

Reference： [1]Patent: CN105218412,2016,A .Location in patent: Paragraph 0042; 0043; 0044

36
[ 625-81-0 ]
[ 101-61-1 ]
C₆H₁₄Zn*C₁₇H₂₂N₂ [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
87.6%	In diethyl ether; at 12℃; for 2h;	In a 2L three-necked flask, 336 g of 4,4'-methylbis(N,N-dimethylaniline) was dissolved in 500 mL of ether, and 250 g of diethyl ether solution containing 100 g of diisopropyl zinc was slowly added dropwise with stirring. In a three-necked flask, the mixture was heated at 12C for 2 hours after the addition was complete. The reaction mixture was slowly cooled to -30C. After 3 hours, a large amount of white solid precipitated and was filtered to obtain a complex. Under a vacuum of 10 mmHg and a temperature of 140C, solvents and low-boiling impurities were removed. This process was completed after 6 hours and the vacuum was released. The diisopropyl zinc complex was placed on an ultrasonic generator (frequency 400KHz, power 2000W) for 3 hours and started to rise.Warm to 96 C, vacuum 40mmHg, cooling collection of diisopropyl zinc gas.Eighty-six grams of diisopropyl zinc was obtained with a yield of 87.6% and was detected by inductively coupled plasma mass spectrometry (ICP-MS).The purity reaches 99.9999% (6N).

Reference： [1]Patent: CN103910754,2018,B .Location in patent: Paragraph 0040-0042

37
[ 101-77-9 ]
[ 616-38-6 ]
[ 101-61-1 ]

Yield	Reaction Conditions	Operation in experiment
97.4%	With NaY Zeolite; at 190℃; for 6h;	2.4. Characterization of MBDMA. A MBDMA yield of 97%(2.47 g, 0.0097mol) and a MDA conversion of 100% wereattained, when a mixture of MDA (1.98 g, 0.01mol), DMC(27.0 g, 0.30mol), and NaY (1.98 g) was stirred at 190?C for6 h. In this case, the liquid was a mixture consisting ofMBDMA, DMC, and a tiny amount of by-products. Afterdistilling off DMC from the mixture, a light yellow solid wasobtained. The solid was further purified by recrystallizationfrom alcohol, and a crystalline compound was obtainedwhich was identified as MBDMA.Characterization data of MBDMA were listed as follows.4,4-Methylene bis(N,N-dimethylaniline) (MBDMA):IR (KBr) ]/cm-1 3448, 2886, 2804, 1613, 1564, 1521, 1480, 1444,1355, 1342, 1309, 1231, 1189, 1168, 1124, 1071, 949, 829, 795, 568,508; 1H NMR (300MHz, CDCl3) 2.88 (s, 12H, CH3), 3.79(s, 2H, CH2), 6.66-6.68 (m, 4H, Ar-H), 7.03-7.06 (m, 4H,Ar-H); MS, m/z, observed: 255.3 [M]+ + 1, C17H22N2 [M]++ 1 requires: 255.4. For C17H22N2 (254.4); found: 79.94% C,8.63% H, 10.73% N. requires: 80.27% C, 8.72% H, 11.01% N.

Reference： [1]Journal of Chemistry,2018,vol. 2018

38
[ 101-61-1 ]
3,6-bis(dimethylamino)-9H-thioxanthenylium perchlorate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
4%		Powdered sulfur (10 g) was added in portions over 15 min to 30% SO3-H2SO4 (25 mL), the resulting brown yellow suspension was cooled in ice-water bath and 4,4'-bis(dimethylamino)diphenylmethane (9.5 g, 37.4 mmol) was added in portions at such a rate that the temperature of the reaction mixture remained below 20 C. (over ?10 min). The yellow suspension was stirred at rt for 1.5 h. The mixture was then poured on ice (?250 mL), the dark purple mixture was allowed to warm up to rt, transferred into a 500 mL round-bottom flask and refluxed for 1 h. The resulting suspension was cooled down to rt, filtered through a layer of Celite, a solution of ZnCl2 (80 g in 150 mL water) was added and the mixture was left at 4 C. overnight. A dark red oil, containing the crystals of 3,6-bis(dimethylamino)thioxanthylium trichlorozincate [prepared according to WO 2010067078 A2 and Heterocyclic Chemistry, 1966, 3, p. 228], separated. The colorless supernatant was decanted off, the residue was dissolved in boiling water (150 mL) and NaClO4 solution (5 g in 10 mL water) was added. The resulting suspension was allowed to cool down to rt and then left in ice-water bath to complete crystallization. The crystals were filtered off, washed with water, Et2O/hexane (1:1) and Et2O, dried in vacuo. Small brown crystals, yield 606 mg (4%). MS (ESI): m/z (positive mode, rel. int., %)=283.1 (100) [M]+.

Reference： [1]Patent: US2018/223102,2018,A1 .Location in patent: Paragraph 0236-0237

39
[ 101-61-1 ]
[ 121-69-7 ]
[ 548-62-9 ]

Yield	Reaction Conditions	Operation in experiment
95.7%	With hydrogenchloride; chloranil; In ethanol; water; at 65℃; for 5h;	In a 250 mL reaction flask equipped with a thermometer, a reflux condenser, and a magnetic stirrer, put26.66g (0.11mol) of N,N'-dimethylaniline, 50.87g (0.1mol) of 4,4'-bis (N, N'-dimethyl)diphenylmethane (methane bass), anhydrous 100mL of ethanol, 1.0g of Salprn cobalt complex, 1.5g of tetrachlorobenzoquinone, 5mL of concentrated hydrochloric acid, heated to 65 C with stirring, oxygen flow, 15mL / min, and reaction for 5 hours Sampling and analysis by HPLC, the conversion of methane bass reaction was complete, the reaction was stopped, ethanol was distilled off, 50 mL of water and 10 mL of concentrated hydrochloric acid were added, heated to 75 C, filtered, the filtrate was cooled to room temperature, crystallized, and filtered to obtain crystals with metallic luster After weighing, 78.1g, the yield was 95.7%. The characterization results are as follows:

Reference： [1]Patent: CN110396303,2019,A .Location in patent: Paragraph 0028-0033

40
[ 95-20-5 ]
[ 108-98-5 ]
2-methyl-3-(phenylsulfinyl)-1H-indole [ No CAS ]
[ 101-61-1 ]

Reference： [1]Chemical Communications,2020,vol. 56,p. 5054 - 5057

41
[ 1703-46-4 ]
[ 101-61-1 ]

Reference： [1]Chemical Communications,2020,vol. 56,p. 5054 - 5057

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H413	May cause long-lasting harmful effects to aquatic life
H420	Harms public health and the environment by destroying ozone in the upper atmosphere

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