[ CAS No. 80866-75-7 ] {[proInfo.proName]}

Name: 80866-75-7|(3-Methyl-4-nitrophenyl)methanol|98%
Brand: Ambeed
SKU: A695992
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Quality Control of [ 80866-75-7 ]

COA NMR CNMR HPLC LC-MS

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SDS Specification

Alternatived Products of [ 80866-75-7 ]

Product Details of [ 80866-75-7 ]

CAS No. :	80866-75-7	MDL No. :	MFCD00007171
Formula :	C₈H₉NO₃	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	KOVQGYQQVNCUBR-UHFFFAOYSA-N
M.W :	167.16	Pubchem ID :	591360
Synonyms :

Calculated chemistry of [ 80866-75-7 ]

Physicochemical Properties

Num. heavy atoms :	12
Num. arom. heavy atoms :	6
Fraction Csp3 :	0.25
Num. rotatable bonds :	2
Num. H-bond acceptors :	3.0
Num. H-bond donors :	1.0
Molar Refractivity :	46.36
TPSA :	66.05 Å²

Pharmacokinetics

GI absorption :	High
BBB permeant :	Yes
P-gp substrate :	No
CYP1A2 inhibitor :	Yes
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-6.45 cm/s

Lipophilicity

Log Po/w (iLOGP) :	1.31
Log Po/w (XLOGP3) :	1.23
Log Po/w (WLOGP) :	1.24
Log Po/w (MLOGP) :	0.68
Log Po/w (SILICOS-IT) :	-0.03
Consensus Log Po/w :	0.89

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	1.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	-1.89
Solubility :	2.16 mg/ml ; 0.0129 mol/l
Class :	Very soluble
Log S (Ali) :	-2.21
Solubility :	1.02 mg/ml ; 0.0061 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-1.99
Solubility :	1.72 mg/ml ; 0.0103 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	2.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.67

Safety of [ 80866-75-7 ]

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

Application In Synthesis of [ 80866-75-7 ]

* 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 [ 80866-75-7 ]
Downstream synthetic route of [ 80866-75-7 ]

[ 80866-75-7 ] Synthesis Path-Upstream 1~5

1
[ 80866-75-7 ]
[ 18515-67-8 ]

Yield	Reaction Conditions	Operation in experiment
93%	With pyridinium chlorochromate In dichloromethane at 20℃; for 3 h;	Step 1: 3-methyl-4-nitrobenzaldehyde: To a solution of (3-methyl-4- nitrophenyl)methanol (1.0 equiv.) in dichoromethane, pyridinium chlorochromate (1.1 equiv.) was added and the reaction mixture was stirred at room temperature for 3 hours. The reaction mixture was filtered through celite and the filtrate was evaporated. The residue was adsorbed on silica (100-200 mesh) and purified by flash chromatography on silica gel, eluting with 5percent ethyl acetate in petroleum ether (60-80), to provide the title compound in the form of creamish crystals (93percent); ¹H NMR (300 MHz, CDCl₃) δ: 2.66 (s, 3H), 7.84-7.87 (m, 2H), 8.04-8.07 (d, J = 8.7 Hz, IH), 10.12 (s, IH); IR (KBr) 3104, 3079, 2981, 2857, 2743, 1702, 1607, 1518, 1383, 1361, 1308, 1226, 1153, 1008, 832, 735 cm^"1.
58 g	With manganese(IV) oxide In dichloromethane at 40℃; for 2 h;	A flask was charged with (3-methyl-4-nitro-phenyl)-methanol (66.9 g, 0.400 mol), manganese(IV) oxide (85percent, 5 μm powder, 409.1 g, 4.00 mol), and CH₂Cl₂(1337 mL). The mixture was stirred at 40° C. for at least 2 h or until HPLC analysis showed that the reaction had proceeded to greater the 97percent completion. The cooled batch was diluted with CH₂Cl₂(1 L) and filtered through a Celite® pad (34 g), and the filter cake was rinsed with more CH₂Cl₂(1 L). The filtrate and washes were concentrated under in vacuo to dryness to give the title compound as a yellow solid (58 g, 87percent yield).

Reference： [1] Patent: WO2010/23609, 2010, A1, . Location in patent: Page/Page column 117
[2] Chemistry - A European Journal, 2015, vol. 21, # 9, p. 3567 - 3571
[3] European Journal of Organic Chemistry, 2016, vol. 2016, # 20, p. 3401 - 3407
[4] Farmaco, 1999, vol. 54, # 9, p. 579 - 583
[5] Patent: WO2007/24843, 2007, A2, . Location in patent: Page/Page column 63-64
[6] Patent: US2013/310394, 2013, A1, . Location in patent: Paragraph 0153-0154

2
[ 89-87-2 ]
[ 18515-67-8 ]
[ 3113-71-1 ]
[ 80866-75-7 ]

Reference： [1] Patent: CN105237317, 2016, A, . Location in patent: Paragraph 0079; 0080

3
[ 80866-75-7 ]
[ 7529-22-8 ]
[ 18515-67-8 ]

Reference： [1] Patent: US6593335, 2003, B1,

4
[ 80866-75-7 ]
[ 865-33-8 ]
[ 24078-21-5 ]

Reference： [1] Organic Letters, 2013, vol. 15, # 19, p. 5072 - 5075
[2] Patent: US9593064, 2017, B2, . Location in patent: Sheet 3

5
[ 80866-75-7 ]
[ 136676-91-0 ]

Reference： [1] Journal of Medicinal Chemistry, 1991, vol. 34, # 11, p. 3248 - 3260

[ 80866-75-7 ] Synthesis Path-Downstream 1~87

1
[ 18515-67-8 ]
[ 80866-75-7 ]

Reference： [1]Journal of the Chemical Society B: Physical Organic,1967,p. 1154 - 1158

2
[ 358-23-6 ]
[ 80866-75-7 ]
Trifluoro-methanesulfonic acid 3-methyl-4-nitro-benzyl ester [ No CAS ]

Reference： [1]Journal of Medicinal Chemistry,1991,vol. 34,p. 3248 - 3260

3
[ 3113-71-1 ]
[ 80866-75-7 ]

Yield	Reaction Conditions	Operation in experiment
89.9%	With borane-THF; In tetrahydrofuran; at 0 - 20℃; for 3h;Inert atmosphere;	To a solution of 3-methyl-4-nitro-benzoic acid (2 g, 11.04 mmol, 1 eq) in anhydrous THF (20 mL) was added BH3-THF (1 M, 27.60 mL, 2.5 eq) at 0-5 C. under N2 atmosphere. The mixture was stirred at 20 C. for 3 h. The reaction mixture was quenched by addition of MeOH (30 mL) at 20 C. then stirred at 20 C. for 0.5 h. The mixture was concentrated to afford the crude product (3-methyl-4-nitro-phenyl)methanol (1.66 g, 9.93 mmol, 89.9% yield, 100% purity) as an off-white solid which was used in the next step without further purification. 1H NMR (400 MHz, CD3OD) δ ppm 7.97 (d, J=8.3 Hz, 1H), 7.46-7.35 (m, 2H), 4.90 (s, 2H), 2.59 (s, 3H); ES-LCMS m/z 168.2 [M+H]+.
67 g	With Trimethyl borate; dimethylsulfide borane complex; In tetrahydrofuran; methanol; dichloromethane; at 65℃; for 6h;Inert atmosphere;	A flask purged with nitrogen was charged with 3-methyl-4-nitro-benzoic acid (72.5 g, 0.400 mol), trimethyl borate (166.2 g, 1.600 mol) and dry tetrahydrofuran (1449 mL). A solution of borane dimethyl sulfide complex (63.8 g, 79.8 mL, 0.840 mol) was added drop-wise to the stirred batch at 20-35 C. over at least 30 min. An exotherm and effervescence were observed during the addition. The mixture was stirred at 65 C. for at least 6 h or until in-process HPLC analysis showed that conversion was greater than 97%. Reaction was quenched at 20-40 C. with cooling by drop-wise addition of methanol (46 mL) followed by aq 5 N hydrochloric acid (144 mL) over at least 30 min. Exotherm and effervescence were observed during the quench. After stirring the batch at 50 C. for at least 1 h, it was concentrated under reduced pressure to a volume of 360 mL. The concentrated batch was washed with water (453 mL) and the solids were collected on a filter. The wet filter cake was dissolved in CH2Cl2 (2170 mL) at and the resulting solution dried over anhydrous magnesium sulfate (36 g). The dried filtrate solution containing the title compound (67 g, 100% yield) was used directly in the preparation of 3-methyl-4-nitro-benzaldehyde.

Reference： [1]Journal of Medicinal Chemistry,1993,vol. 36,p. 4239 - 4249
[2]Patent: WO2013/120045,2013,A1 .Location in patent: Paragraph 300
[3]Journal of the Chemical Society. Perkin transactions I,1999,p. 2759 - 2770
[4]Patent: US2019/55218,2019,A1 .Location in patent: Paragraph 0298; 0299; 0300
[5]Bioorganic and Medicinal Chemistry Letters,2011,vol. 21,p. 3986 - 3991
[6]Patent: US2013/310394,2013,A1 .Location in patent: Paragraph 0151-0152

4
[ 80866-75-7 ]
[ 141281-38-1 ]

Reference： [1]Journal of Medicinal Chemistry,1993,vol. 36,p. 4239 - 4249

5
[ 80866-75-7 ]
[ 88990-57-2 ]

Yield	Reaction Conditions	Operation in experiment
99%	palladium-carbon; In ethanol;	Example 79 Preparation of 4-(hydroxymethyl)-2-methylaniline (105) (Literature reference for making this compound see: Sun, J.-H.; Teleha, C. A.; Yan, J.-S.; Rodgers, J. D.; Nugiel, D. A. J. Org. Chem. 1997, 62, 5627-5629). A solution of 3-methyl-4-nitrobenzyl alcohol (compound 104, 8.5 g, 50.9 mmol) in ethanol (100 mL) was stirred at room temperature, while 10% Pd/C (1.0 g) was added in one portion. The resulting suspension was hydrogenated (10 psi) in a Parr apparatus at room temperature for 1.5 hours. The catalyst was removed by filtration, and solvent was evaporated under vacuum to give the title compound (105, 6.9 g, 99%). MS (electrospray) 138 (M+1); 1H N MR (CDCl3) delta 2.16 (s, 3H), 2.72 (br s, 3H), 4.52 (s, 2H), 6.64 (d, 1H, J=8.0 Hz), 7.02 (d, 1H, J=8.0 Hz), 7.05 (s, 1H). Use of high pressure (30 Psi) of hydrogen and a long reaction time (8 hours) resulted a hydrogenolysis product. The same starting material (104) (21.05 g, 126 mmol) yielded 2,4-dimethylaniline (15.20 g, 100%) under such conditions. MS (electrospray) 122 (M+1); 1H N MR (CDCl3) delta 2.14 (s, 3H), 2.23 (s, 3H), 3.72 (br s, 1H), 6.58 (d, 1H, J=8.0 Hz), 6.84 (d, 1H, J=8.0 Hz), 6.87 (s, 1H).
99%	palladium-carbon; In ethanol;	Example 68 Preparation of 4-(hydroxymethyl)-2-methylaniline (90) (Literature reference for making this compound see: Sun, J.-H.; Teleha, C. A.; Yan, J.-S.; Rodgers, J. D.; Nugiel, D. A. J. Org. Chem. 1997, 62, 5627-5629). A solution of 3-methyl-4-nitrobenzyl alcohol (compound 89, 8.5 g, 50.9 mmol) in ethanol (100 mL) was stirred at room temperature, while 10% Pd/C (1.0 g) was added in one portion. The resulting suspension was hydrogenated (10 psi) in a Parr apparatus at room temperature for 1.5 hours. The catalyst was removed by filtration, and solvent was evaporated under vacuum to give the title compound (90, 6.9 g, 99%). MS (electrospray) 138 (M+1); 1H N MR (CDCl3) delta2.16 (s, 3H), 2.72 (br s, 3H), 4.52 (s, 2H), 6.64 (d, 1H, J=8.0 Hz), 7.02 (d, 1H, J=8.0 Hz), 7.05 (s, 1H). Use of high pressure (30 Psi) of hydrogen and a long reaction time (8 hours) resulted a hydrogenolysis product. The same starting material (89) (21.05 g, 126 mmol) yielded 2,4-dimethylaniline (15.20 g, 100%) under such conditions. MS (electrospray) 122 (M+1); 1H N MR (CDCl3) delta2.14 (s, 3H), 2.23 (s, 3H), 3.72 (br s, 1H), 6.58 (d, 1H, J=8.0 Hz), 6.84 (d, 1H, J=8.0 Hz), 6.87 (s, 1H).
97%	With hydrogen;palladium 10% on activated carbon; In ethanol; at 20℃;	Example 4F1-(Tetrahydro-pyran-2-yl-1 H-indazo-5-yl}-methylamine: synthesized as described in the reference. JOC, 62, 5627(1997).268 269 270Part A:A mixture of 3-methyl -4-nitro benzyl alcohol 264 (2.10 g, 12.6 mmol) and 10% Palladium on carbon (0.2 g) in 25 mL of EtOH was hydrogenated at room temperature. After completion of the reaction, the catalyst was removed by filtration. <n="143"/>The solvent was evaporated and residue dried in a vacuum to give title compound as yellow solid 1.7 g, 97% ), 1H NMR (CDCI3), delta 7.06(s,1 H),7.03(d, J=8.0 Hz, 1 H), 6.66 (d, J=7.7 Hz, 1 H), 4.53 (s, 1 H), 3.62(br, 2H), 2.17 (s, 3H); mass calculated for compound 265 is 137.17, observed LCMS m/z 138.2 (M+H).

91.4%

With hydrogen;palladium 10% on activated carbon; In methanol; at 25℃;

A solution of 3-methyl-4-nitrobenzyl alcohol (Aldrich; 2.000 g; 12.0 mmol) in MeOH (90 ml) is passed through the H-Cube flow hydrogenator fitted with a 10 mol% Pd/C catalyst cartridge (30 x 4 mm) heated to 25 0C with the full hydrogen option enabled. The flow rate is set at 1 mL/min. Solvent was removed to give the title compound (1.50 g, 91.4 %) without further purification. MS (ESI+): 138.1. HPLC (Condition A): Rt 1.41 min (HPLC purity 53.8 %).

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2002,vol. 12,p. 2925 - 2930
[2]Patent: US6506754,2003,B1
[3]Patent: US6541467,2003,B1
[4]Journal of Organic Chemistry,1997,vol. 62,p. 5627 - 5629
[5]Patent: WO2008/82490,2008,A2 .Location in patent: Page/Page column 141; 142
[6]Patent: WO2009/19167,2009,A1 .Location in patent: Page/Page column 119
[7]Patent: WO2013/120045,2013,A1 .Location in patent: Paragraph 0300

6
[ 80866-75-7 ]
[ 18515-67-8 ]

Yield	Reaction Conditions	Operation in experiment
93%	With pyridinium chlorochromate; In dichloromethane; at 20℃; for 3h;	Step 1: 3-methyl-4-nitrobenzaldehyde: To a solution of (3-methyl-4- nitrophenyl)methanol (1.0 equiv.) in dichoromethane, pyridinium chlorochromate (1.1 equiv.) was added and the reaction mixture was stirred at room temperature for 3 hours. The reaction mixture was filtered through celite and the filtrate was evaporated. The residue was adsorbed on silica (100-200 mesh) and purified by flash chromatography on silica gel, eluting with 5% ethyl acetate in petroleum ether (60-80), to provide the title compound in the form of creamish crystals (93%); 1H NMR (300 MHz, CDCl3) delta: 2.66 (s, 3H), 7.84-7.87 (m, 2H), 8.04-8.07 (d, J = 8.7 Hz, IH), 10.12 (s, IH); IR (KBr) 3104, 3079, 2981, 2857, 2743, 1702, 1607, 1518, 1383, 1361, 1308, 1226, 1153, 1008, 832, 735 cm"1.
	With manganese(IV) oxide; In dichloromethane; at 20℃; for 48h;	Intermediates 25 & 26 To a stirred solution of Intermediate 23 or 24 (60 mmol) in methylene chloride (200 mL) was added manganese oxide (52 g, 600 mmol). The reaction mixture was stirred at room temperature for 2 days and filtered through diatomaceous. The filter cake was washed with methylene chloride (500 mL) and the filtrate was concentrated under reduced pressure to afford the crude aldehyde. To a solution of the aldehyde (8.7 g, 54 mmol) at -78 0C in tetrahydrofuran (180 mL) was added MeLi (2 M in THF, 80 mmol, 40 mL) dropwise via addition funnel. The resulting solution was stirred under nitrogen, at -78 0C, for 4 hours. The reaction mixture was quenched slowly with saturated ammonium chloride solution at -78 0C and warmed to 0 C. The mixture was partitioned between ethyl acetate (500 mL) and water (300 mL). The organic layer was separated, dried over sodium sulfate and concentrated under reduced pressure. The crude oil was purified by chromatography (silica gel, 2:1 hexanes/ethyl acetate) to afford the alcohol intermediate. To a stirred solution of EPO <DP n="65"/>the alcohol (4.0 g, 22 mmol) in methylene chloride (75 ml_) was added manganese oxide (26 g, 300 mmol). The reaction mixture was stirred at room temperature for 2 days and then filtered through diatomaceous. The filter cake was washed with methylene chloride (500 ml_) and the filtrate was concentrated under reduced pressure and the resulting solid was purified by chromatography (silica gel, 4:1 hexanes/ethyl acetate).Intermediate 25 (4.3 g, 35% for 3 steps): 1H NMR (500 MHz, CDCI3) .58.01-7.99 (m, 1 H), 7.91 (s, 1 H), 7.89-7.82 (m, 1H), 2.65-2.64 (m, 6H); HPLC >99%, tR = 8.05 min;Intermediate 26 (1.6 g, 24% for 3 steps): 1H NMR (500 MHz, CDCI3) 67.90-7.88 (m, 1 H), 7.68 (s, 1 H), 7.53-7.55 (m, 1 H), 4.01 (s, 3H), 2.65 (s, 3H).
58 g	With manganese(IV) oxide; In dichloromethane; at 40℃; for 2h;	A flask was charged with (3-methyl-4-nitro-phenyl)-methanol (66.9 g, 0.400 mol), manganese(IV) oxide (85%, 5 mum powder, 409.1 g, 4.00 mol), and CH2Cl2 (1337 mL). The mixture was stirred at 40 C. for at least 2 h or until HPLC analysis showed that the reaction had proceeded to greater the 97% completion. The cooled batch was diluted with CH2Cl2 (1 L) and filtered through a Celite pad (34 g), and the filter cake was rinsed with more CH2Cl2 (1 L). The filtrate and washes were concentrated under in vacuo to dryness to give the title compound as a yellow solid (58 g, 87% yield).

Reference： [1]Patent: WO2010/23609,2010,A1 .Location in patent: Page/Page column 117
[2]Chemistry - A European Journal,2015,vol. 21,p. 3567 - 3571
[3]European Journal of Organic Chemistry,2016,vol. 2016,p. 3401 - 3407
[4]Il Farmaco,1999,vol. 54,p. 579 - 583
[5]Patent: WO2007/24843,2007,A2 .Location in patent: Page/Page column 63-64
[6]Patent: US2013/310394,2013,A1 .Location in patent: Paragraph 0153-0154

7
[ 13154-24-0 ]
[ 80866-75-7 ]
triisopropyl[(3-methyl-4-nitrobenzyl)oxy]silane [ No CAS ]

Reference： [1]Helvetica Chimica Acta,2007,vol. 90,p. 1043 - 1068

8
[ 136918-14-4 ]
[ 80866-75-7 ]
[ 946856-95-7 ]

Reference： [1]Helvetica Chimica Acta,2007,vol. 90,p. 1043 - 1068

9
[ 80866-75-7 ]
[ 70204-39-6 ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2002,vol. 12,p. 2925 - 2930

10
[ 80866-75-7 ]
acetic acid 1<i>H</i>-indazol-5-ylmethyl ester [ No CAS ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2002,vol. 12,p. 2925 - 2930

11
[ 80866-75-7 ]
[ 192369-92-9 ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2002,vol. 12,p. 2925 - 2930
[2]Patent: WO2013/120045,2013,A1

12
[ 80866-75-7 ]
5-(Aminomethyl)-1-(2-tetrahydropyranyl)indazole [ No CAS ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2002,vol. 12,p. 2925 - 2930

13
[ 80866-75-7 ]
[ 192369-94-1 ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2002,vol. 12,p. 2925 - 2930

14
[ 80866-75-7 ]
acetic acid 1-(tetrahydro-pyran-2-yl)-1<i>H</i>-indazol-5-ylmethyl ester [ No CAS ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2002,vol. 12,p. 2925 - 2930

15
[ 80866-75-7 ]
[ 151954-44-8 ]

Reference： [1]Journal of Medicinal Chemistry,1993,vol. 36,p. 4239 - 4249

16
[ 80866-75-7 ]
[ 151954-41-5 ]

Reference： [1]Journal of Medicinal Chemistry,1993,vol. 36,p. 4239 - 4249

17
[ 80866-75-7 ]
3-<<4-<N-(carboxyphenylmethyl)amino>-3-methylphenyl>methyl>-5,7-dimethyl-2-ethyl-3H-imidazo<4,5-b>pyridine [ No CAS ]

Reference： [1]Journal of Medicinal Chemistry,1993,vol. 36,p. 4239 - 4249

18
[ 80866-75-7 ]
3-<<4-<N-(carboxyphenylmethyl)-N-methylamino>-3-methylphenyl>methyl>-5,7-dimethyl-2-ethyl-3H-imidazo<4,5-b>pyridine [ No CAS ]

Reference： [1]Journal of Medicinal Chemistry,1993,vol. 36,p. 4239 - 4249

19
[ 80866-75-7 ]
[ 151954-46-0 ]

Reference： [1]Journal of Medicinal Chemistry,1993,vol. 36,p. 4239 - 4249

20
[ 80866-75-7 ]
3-<<4-<N-(carboxy(2-methylphenyl)methyl)amino>-3-methylphenyl>methyl>-5,7-dimethyl-2-ethyl-3H-imidazo<4,5-b>pyridine [ No CAS ]

Reference： [1]Journal of Medicinal Chemistry,1993,vol. 36,p. 4239 - 4249

21
[ 80866-75-7 ]
[ 151954-54-0 ]

Reference： [1]Journal of Medicinal Chemistry,1993,vol. 36,p. 4239 - 4249

22
[ 80866-75-7 ]
3-<<4-<N-(carboxyphenylmethyl)-N-ethylamino>-3-methylphenyl>methyl>-5,7-dimethyl-2-ethyl-3H-imidazo<4,5-b>pyridine [ No CAS ]

Reference： [1]Journal of Medicinal Chemistry,1993,vol. 36,p. 4239 - 4249

23
[ 80866-75-7 ]
3-<<4-<N-allyl-N-(carboxyphenylmethyl)amino>-3-methylphenyl>methyl>-5,7-dimethyl-2-ethyl-3H-imidazo<4,5-b>pyridine [ No CAS ]

Reference： [1]Journal of Medicinal Chemistry,1993,vol. 36,p. 4239 - 4249

24
[ 80866-75-7 ]
[ 151954-56-2 ]

Reference： [1]Journal of Medicinal Chemistry,1993,vol. 36,p. 4239 - 4249

25
[ 80866-75-7 ]
3-<<4-<N-allyl-N-(carboxy(2-methylphenyl)methyl)amino>-3-methylphenyl>methyl>-5,7-dimethyl-2-ethyl-3H-imidazo<4,5-b>pyridine [ No CAS ]

Reference： [1]Journal of Medicinal Chemistry,1993,vol. 36,p. 4239 - 4249

26
[ 80866-75-7 ]
[ 151954-47-1 ]

Reference： [1]Journal of Medicinal Chemistry,1993,vol. 36,p. 4239 - 4249

27
[ 80866-75-7 ]
[ 151954-55-1 ]

Reference： [1]Journal of Medicinal Chemistry,1993,vol. 36,p. 4239 - 4249

28
[ 80866-75-7 ]
3-<<4-<N-(carboxyphenylmethyl)-N-propylamino>-3-methylphenyl>methyl>-5,7-dimethyl-2-ethyl-3H-imidazo<4,5-b>pyridine [ No CAS ]

Reference： [1]Journal of Medicinal Chemistry,1993,vol. 36,p. 4239 - 4249

29
[ 80866-75-7 ]
[ 151954-57-3 ]

Reference： [1]Journal of Medicinal Chemistry,1993,vol. 36,p. 4239 - 4249

30
[ 80866-75-7 ]
[ 151954-58-4 ]

Reference： [1]Journal of Medicinal Chemistry,1993,vol. 36,p. 4239 - 4249

31
[ 80866-75-7 ]
[(S)-1-(3-Methyl-4-nitro-benzyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-6-yl]-methanol [ No CAS ]

Reference： [1]Journal of Medicinal Chemistry,1991,vol. 34,p. 3248 - 3260

32
[ 80866-75-7 ]
[ 114955-85-0 ]

Reference： [1]Journal of Medicinal Chemistry,1991,vol. 34,p. 3248 - 3260

33
[ 80866-75-7 ]
[ 136677-03-7 ]

Reference： [1]Journal of Medicinal Chemistry,1991,vol. 34,p. 3248 - 3260
[2]Patent: US5401736,1995,A

34
[ 80866-75-7 ]
(S)-6-(tert-Butyl-dimethyl-silanyloxymethyl)-1-(3-methyl-4-nitro-benzyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine [ No CAS ]

Reference： [1]Journal of Medicinal Chemistry,1991,vol. 34,p. 3248 - 3260

35
[ 80866-75-7 ]
[ 136676-75-0 ]

Reference： [1]Journal of Medicinal Chemistry,1991,vol. 34,p. 3248 - 3260

36
[ 80866-75-7 ]
[ 114785-54-5 ]

Reference： [1]Journal of Medicinal Chemistry,1991,vol. 34,p. 3248 - 3260

37
[ 80866-75-7 ]
(S)-5-(2-Cyclohexyl-acetyl)-1-(4-methoxy-3-methyl-benzyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid methyl ester [ No CAS ]

Reference： [1]Journal of Medicinal Chemistry,1991,vol. 34,p. 3248 - 3260

38
[ 80866-75-7 ]
[ 114787-83-6 ]

Reference： [1]Journal of Medicinal Chemistry,1991,vol. 34,p. 3248 - 3260

39
[ 80866-75-7 ]
[ 136777-58-7 ]

Reference： [1]Journal of Medicinal Chemistry,1991,vol. 34,p. 3248 - 3260

40
[ 80866-75-7 ]
[ 114785-93-2 ]

Reference： [1]Journal of Medicinal Chemistry,1991,vol. 34,p. 3248 - 3260

41
[ 80866-75-7 ]
[ 136676-74-9 ]

Reference： [1]Journal of Medicinal Chemistry,1991,vol. 34,p. 3248 - 3260

42
[ 80866-75-7 ]
(S)-1-(4-Methoxy-3-methyl-benzyl)-5-phenylacetyl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid methyl ester [ No CAS ]

Reference： [1]Journal of Medicinal Chemistry,1991,vol. 34,p. 3248 - 3260

43
[ 80866-75-7 ]
(S)-1-(4-Methoxy-3-methyl-benzyl)-5-[(E)-(3-phenyl-acryloyl)]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid methyl ester [ No CAS ]

Reference： [1]Journal of Medicinal Chemistry,1991,vol. 34,p. 3248 - 3260

44
[ 80866-75-7 ]
[ 114785-98-7 ]

Reference： [1]Journal of Medicinal Chemistry,1991,vol. 34,p. 3248 - 3260

45
[ 80866-75-7 ]
[ 114785-95-4 ]

Reference： [1]Journal of Medicinal Chemistry,1991,vol. 34,p. 3248 - 3260

46
[ 80866-75-7 ]
(S)-1-(4-Methoxy-3-methyl-benzyl)-5-(2-phenyl-propionyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid methyl ester [ No CAS ]

Reference： [1]Journal of Medicinal Chemistry,1991,vol. 34,p. 3248 - 3260

47
[ 80866-75-7 ]
(S)-1-(4-Methoxy-3-methyl-benzyl)-5-(1-phenyl-cyclopentanecarbonyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid methyl ester [ No CAS ]

Reference： [1]Journal of Medicinal Chemistry,1991,vol. 34,p. 3248 - 3260

48
[ 80866-75-7 ]
[ 114785-97-6 ]

Reference： [1]Journal of Medicinal Chemistry,1991,vol. 34,p. 3248 - 3260

49
[ 80866-75-7 ]
[ 136676-90-9 ]

Reference： [1]Journal of Medicinal Chemistry,1991,vol. 34,p. 3248 - 3260

50
[ 80866-75-7 ]
(S)-1-(4-Methoxy-3-methyl-benzyl)-5-(methyl-phenyl-carbamoyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid methyl ester [ No CAS ]

Reference： [1]Journal of Medicinal Chemistry,1991,vol. 34,p. 3248 - 3260

51
[ 80866-75-7 ]
[ 136677-04-8 ]

Reference： [1]Journal of Medicinal Chemistry,1991,vol. 34,p. 3248 - 3260

52
[ 80866-75-7 ]
(S)-5-(2-Adamantan-1-yl-acetyl)-1-(4-methoxy-3-methyl-benzyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid methyl ester [ No CAS ]

Reference： [1]Journal of Medicinal Chemistry,1991,vol. 34,p. 3248 - 3260

53
[ 80866-75-7 ]
[ 114785-59-0 ]

Reference： [1]Journal of Medicinal Chemistry,1991,vol. 34,p. 3248 - 3260

54
[ 80866-75-7 ]
(S)-5-(cyclopentylphenylacetyl)-4,5,6,7-tetrahydro-1-[(4-methoxy-3-methylphenyl)methyl]-1H-imidazo-[4,5-c]pyridine-6-carboxylic acid [ No CAS ]

Reference： [1]Journal of Medicinal Chemistry,1991,vol. 34,p. 3248 - 3260

55
[ 80866-75-7 ]
(S)-1-(4-Methoxy-3-methyl-benzyl)-5-(1-phenyl-cyclohexanecarbonyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid methyl ester [ No CAS ]

Reference： [1]Journal of Medicinal Chemistry,1991,vol. 34,p. 3248 - 3260

56
[ 80866-75-7 ]
[ 114785-25-0 ]

Reference： [1]Journal of Medicinal Chemistry,1991,vol. 34,p. 3248 - 3260

57
[ 80866-75-7 ]
[ 114785-24-9 ]

Reference： [1]Journal of Medicinal Chemistry,1991,vol. 34,p. 3248 - 3260

58
[ 80866-75-7 ]
(S)-5-(9H-Fluorene-9-carbonyl)-1-(4-methoxy-3-methyl-benzyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid methyl ester [ No CAS ]

Reference： [1]Journal of Medicinal Chemistry,1991,vol. 34,p. 3248 - 3260

59
[ 80866-75-7 ]
[ 114785-96-5 ]

Reference： [1]Journal of Medicinal Chemistry,1991,vol. 34,p. 3248 - 3260

60
[ 80866-75-7 ]
[ 114785-60-3 ]

Reference： [1]Journal of Medicinal Chemistry,1991,vol. 34,p. 3248 - 3260

61
[ 80866-75-7 ]
[ 136676-77-2 ]

Reference： [1]Journal of Medicinal Chemistry,1991,vol. 34,p. 3248 - 3260

62
[ 80866-75-7 ]
[ 150371-73-6 ]

Reference： [1]Journal of Medicinal Chemistry,1991,vol. 34,p. 3248 - 3260

63
[ 80866-75-7 ]
[ 114787-66-5 ]

Reference： [1]Journal of Medicinal Chemistry,1991,vol. 34,p. 3248 - 3260

64
[ 80866-75-7 ]
(S)-5-(2,2-Di-p-tolyl-acetyl)-1-(4-methoxy-3-methyl-benzyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid methyl ester [ No CAS ]

Reference： [1]Journal of Medicinal Chemistry,1991,vol. 34,p. 3248 - 3260

65
[ 80866-75-7 ]
(S)-5-(2,2-Diphenyl-propionyl)-1-(4-methoxy-3-methyl-benzyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid methyl ester [ No CAS ]

Reference： [1]Journal of Medicinal Chemistry,1991,vol. 34,p. 3248 - 3260

66
[ 80866-75-7 ]
(S)-5-(2-Cyclohexyl-2-phenyl-acetyl)-1-(4-methoxy-3-methyl-benzyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid methyl ester [ No CAS ]

Reference： [1]Journal of Medicinal Chemistry,1991,vol. 34,p. 3248 - 3260

67
[ 80866-75-7 ]
(S)-2-Amino-3-[3-(4-methoxy-3-methyl-benzyl)-3H-imidazol-4-yl]-propionic acid; hydrochloride [ No CAS ]

Reference： [1]Journal of Medicinal Chemistry,1991,vol. 34,p. 3248 - 3260

68
[ 80866-75-7 ]
[ 114785-55-6 ]

Reference： [1]Journal of Medicinal Chemistry,1991,vol. 34,p. 3248 - 3260

69
[ 80866-75-7 ]
[ 114785-65-8 ]

Reference： [1]Journal of Medicinal Chemistry,1991,vol. 34,p. 3248 - 3260

70
[ 80866-75-7 ]
[ 114785-86-3 ]

Reference： [1]Journal of Medicinal Chemistry,1991,vol. 34,p. 3248 - 3260

71
[ 80866-75-7 ]
(S)-5-(3,3-Diphenyl-propionyl)-1-(4-methoxy-3-methyl-benzyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid methyl ester [ No CAS ]

Reference： [1]Journal of Medicinal Chemistry,1991,vol. 34,p. 3248 - 3260

72
[ 80866-75-7 ]
[ 114785-67-0 ]

Reference： [1]Journal of Medicinal Chemistry,1991,vol. 34,p. 3248 - 3260

73
[ 80866-75-7 ]
[ 114788-07-7 ]

Reference： [1]Journal of Medicinal Chemistry,1991,vol. 34,p. 3248 - 3260

74
[ 80866-75-7 ]
[ 150371-65-6 ]

Reference： [1]Journal of Medicinal Chemistry,1991,vol. 34,p. 3248 - 3260

75
[ 80866-75-7 ]
(S)-5-[2,2-Bis-(4-fluoro-phenyl)-acetyl]-1-(4-methoxy-3-methyl-benzyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid methyl ester [ No CAS ]

Reference： [1]Journal of Medicinal Chemistry,1991,vol. 34,p. 3248 - 3260

76
[ 80866-75-7 ]
(S)-5-[2,2-Bis-(4-chloro-phenyl)-acetyl]-1-(4-methoxy-3-methyl-benzyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid methyl ester [ No CAS ]

Reference： [1]Journal of Medicinal Chemistry,1991,vol. 34,p. 3248 - 3260

77
[ 80866-75-7 ]
[ 114785-70-5 ]

Reference： [1]Journal of Medicinal Chemistry,1991,vol. 34,p. 3248 - 3260
[2]Patent: US5401736,1995,A

78
[ 80866-75-7 ]
(S)-5-(2,3-Diphenyl-propionyl)-1-(4-methoxy-3-methyl-benzyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid methyl ester [ No CAS ]

Reference： [1]Journal of Medicinal Chemistry,1991,vol. 34,p. 3248 - 3260

79
[ 80866-75-7 ]
(S)-5-[2,2-Bis-(4-methoxy-phenyl)-acetyl]-1-(4-methoxy-3-methyl-benzyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid methyl ester [ No CAS ]

Reference： [1]Journal of Medicinal Chemistry,1991,vol. 34,p. 3248 - 3260

80
[ 80866-75-7 ]
1-[(S)-6-(tert-Butyl-dimethyl-silanyloxymethyl)-1-(3-methyl-4-nitro-benzyl)-1,4,6,7-tetrahydro-imidazo[4,5-c]pyridin-5-yl]-2,2-diphenyl-ethanone [ No CAS ]

Reference： [1]Journal of Medicinal Chemistry,1991,vol. 34,p. 3248 - 3260

81
[ 80866-75-7 ]
[ 114785-57-8 ]

Reference： [1]Journal of Medicinal Chemistry,1991,vol. 34,p. 3248 - 3260

82
[ 80866-75-7 ]
[ 114785-87-4 ]

Reference： [1]Journal of Medicinal Chemistry,1991,vol. 34,p. 3248 - 3260

83
[ 89-87-2 ]
[ 80866-75-7 ]

Reference： [1]Journal of the Chemical Society B: Physical Organic,1967,p. 1154 - 1158

84
[ 80866-75-7 ]
[ 88990-57-2 ]
[ 95-68-1 ]

Yield	Reaction Conditions	Operation in experiment
	palladium-carbon; In ethanol;	Example 100 Preparation of 4-(Hydroxymethyl)-2-methylaniline (12-2) (Literature reference for making this compound see: Sun, J. -H.; Teleha, C. A.; Yan, J. -S.; Rodgers, J. D.; Nugiel, D. A. J. Org. Chem. 1997, 62, 5627-5629). A solution of 3-methyl-4-nitrobenzyl alcohol (compound 12-1, 8.5 g, 50.9 mmol) in ethanol (100 mL) was stirred at room temperature, while 10% Pd/C (1.0 g) was added in one portion. The resulting suspension was hydrogenated (10 psi) in a Parr apparatus at room temperature for 1.5 hours. The catalyst was removed by filtration, and solvent was evaporated under vacuum to give the title compound (12-2, 6.9 g, 99%). MS (electrospray) 138 (M+1); 1H N MR (CDCl3) delta 2.16 (s, 3H), 2.72 (br s, 3H), 4.52 (s, 2H), 6.64 (d, 1H, J=8.0 Hz), 7.02 (d, 1H, J=8.0 Hz), 7.05 (s, 1H). Use of high pressure (30 Psi) of hydrogen and a long reaction time (8 hours) resulted a hydrogenolysis product. The same starting material (12-14 1) (21.05 g, 126 mmol) yielded 2,4-dimethylaniline (12-16p) (15.20 g, 100%) under such conditions. MS (electrospray) 122 (M+1); 1H N MR (CDCl3) delta 2.14 (s, 3H), 2.23 (s, 3H), 3.72 (br s, 1H), 6.58 (d, 1H, J=8.0 Hz), 6.84 (d, 1H, J=38.0 Hz), 6.87 (s, 1H).

Reference： [1]Patent: US6506760,2003,B1

85
9-(3-methyl-4-nitrophenyl)-2,3,5.6,7,9-hexahydrothieno[3.2-b]quinolin-8(4H)-one 1,1-dioxide 3-Methyl-4-nitrobenzaldehyde [ No CAS ]
[ 80866-75-7 ]
[ 7529-22-8 ]
[ 18515-67-8 ]

Yield	Reaction Conditions	Operation in experiment
	silica gel; In tetrapropylammonium perruthennate; dichloromethane;	EXAMPLE 219A 3-methyl-4-nitrobenzaldehyde To a solution of 3-methyl-4-nitrobenzyl alcohol (3.0 g, 18 mmol), N-methylmorpholine-N-oxide (3.2 g, 27 mmol), and powdered 4A molecular sieves (8.98 g) in methylene chloride (40 mL) was added in one portion tetrapropylammonium perruthenate (0.315 g, 0.898 mmol), and the reaction stirred at room temperature. The reaction was filtered through silica gel, eluding with methylene chloride, solvent evaporated and the residue purified by flash chromatography to provide 2.2 g of the title compound. Examp~le 219B 5 9-(3-methyl-4-nitrophenyl)-2,3,5.6,7,9-hexahydrothieno[3.2-b]quinolin-8(4H)-one 1,1-dioxide 3-Methyl-4-nitrobenzaldehyde (0.99 g, 6.0 mmol) was processed according to the method of Example 11 5C to provide the title compound. mp >250; 10 1H NMR (DMSO-d6) delta 1.90 (m, 2H), 2.26 (m, 2H), 2.54 (m, 2H), 2.86 (m, 1H), 3.02 (m, 1H), 3.38 (m, 2H), 4.98 (s, 1H), 7.30 (m, 2H), 7.92 (d, 1H, J=6.0Hz)), 9.85 (s, 1H); MS (ESI+) m/z 375 (M+H)+; Anal. Calcd for C18H18N205S0.2H20: C, 57.74;H, 4.85; N, 7.48. Found: C, 56.91;H, 5.07; N, 7.07.

Reference： [1]Patent: US6593335,2003,B1

86
[ 80866-75-7 ]
[ 865-33-8 ]
[ 24078-21-5 ]

Reference： [1]Organic Letters,2013,vol. 15,p. 5072 - 5075
[2]Patent: US9593064,2017,B2 .Location in patent: Sheet 3

87
[ 89-87-2 ]
[ 18515-67-8 ]
[ 3113-71-1 ]
[ 80866-75-7 ]

Yield	Reaction Conditions	Operation in experiment
		Adding a time fresh material of the oxidation reactor 2,4-dimethyl-nitrobenzene and catalyst is dissolved in the acetic acid CeO2, naphthenic acid cobalt and having the general formula (IV) of a metal phthalocyanine structure (R1=H, R2=CH3CH2, M=Mn) mixture, the total concentration of 450 ppm, acetic acid and 2,4-dimethylnitro Benzene mass ratio of 0. 08. When the device was operated stably, the flow rate of the fresh material in the oxidation reactor was 6.0 mL / h. The average residence time of the oxidation reactor in liquid phase was 5.0 h, and the mass fraction of oxygen was 80% oxygen-enriched air was continuously fed into the oxidation reactor, maintaining the reaction temperature at 125 C and the reaction pressure at 0.6 MPa. The volume ratio of the water added into the hydrolysis reactor to the oxidation reaction liquid entering the hydrolysis reactor is 0.43: 1, and the oxygen-enriched air with the oxygen mass percentage of 80% is continuously fed, and the reaction temperature in the hydrolysis reactor is maintained at 78 C, the reaction pressure is 0. 4MPa, then the hydrolysis reactor liquid phase residence time of 5. Oh. Hydrolysis reactor out The liquid-liquid phase was continuously fed into the liquid-liquid delaminator at a temperature of 45. 8 C and a pressure of 0.3 MPa. The conversion of 2,4-dimethylnitrobenzene in the system was 97.0%, The selectivities of 3-methyl-4-nitrobenzyl alcohol, 3-methyl-4-nitrobenzaldehyde and 3-methyl-4-nitrobenzoic acid were 54.2%, 36.5% 9.3%, other by-products were not detected.

Reference： [1]Patent: CN105237317,2016,A .Location in patent: Paragraph 0079; 0080

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Ghs Precautionary Statements

Precautionary Statements-General
Code	Phrase
P101	If medical advice is needed,have product container or label at hand.
P102	Keep out of reach of children.
P103	Read label before use
Prevention
Code	Phrase
P201	Obtain special instructions before use.
P202	Do not handle until all safety precautions have been read and understood.
P210	Keep away from heat/sparks/open flames/hot surfaces. - No smoking.
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P220	Keep/Store away from clothing/combustible materials.
P221	Take any precaution to avoid mixing with combustibles
P222	Do not allow contact with air.
P223	Keep away from any possible contact with water, because of violent reaction and possible flash fire.
P230	Keep wetted
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P232	Protect from moisture.
P233	Keep container tightly closed.
P234	Keep only in original container.
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P240	Ground/bond container and receiving equipment.
P241	Use explosion-proof electrical/ventilating/lighting/equipment.
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P262	Do not get in eyes, on skin, or on clothing.
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P264	Wash hands thoroughly after handling.
P265	Wash skin thouroughly after handling.
P270	Do not eat, drink or smoke when using this product.
P271	Use only outdoors or in a well-ventilated area.
P272	Contaminated work clothing should not be allowed out of the workplace.
P273	Avoid release to the environment.
P280	Wear protective gloves/protective clothing/eye protection/face protection.
P281	Use personal protective equipment as required.
P282	Wear cold insulating gloves/face shield/eye protection.
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P284	Wear respiratory protection.
P285	In case of inadequate ventilation wear respiratory protection.
P231 + P232	Handle under inert gas. Protect from moisture.
P235 + P410	Keep cool. Protect from sunlight.
Response
Code	Phrase
P301	IF SWALLOWED:
P304	IF INHALED:
P305	IF IN EYES:
P306	IF ON CLOTHING:
P307	IF exposed:
P308	IF exposed or concerned:
P309	IF exposed or if you feel unwell:
P310	Immediately call a POISON CENTER or doctor/physician.
P311	Call a POISON CENTER or doctor/physician.
P312	Call a POISON CENTER or doctor/physician if you feel unwell.
P313	Get medical advice/attention.
P314	Get medical advice/attention if you feel unwell.
P315	Get immediate medical advice/attention.
P320
P302 + P352	IF ON SKIN: wash with plenty of soap and water.
P321
P322
P330	Rinse mouth.
P331	Do NOT induce vomiting.
P332	IF SKIN irritation occurs:
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P334	Immerse in cool water/wrap n wet bandages.
P335	Brush off loose particles from skin.
P336	Thaw frosted parts with lukewarm water. Do not rub affected area.
P337	If eye irritation persists:
P338	Remove contact lenses, if present and easy to do. Continue rinsing.
P340	Remove victim to fresh air and keep at rest in a position comfortable for breathing.
P341	If breathing is difficult, remove victim to fresh air and keep at rest in a position comfortable for breathing.
P342	If experiencing respiratory symptoms:
P350	Gently wash with plenty of soap and water.
P351	Rinse cautiously with water for several minutes.
P352	Wash with plenty of soap and water.
P353	Rinse skin with water/shower.
P360	Rinse immediately contaminated clothing and skin with plenty of water before removing clothes.
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P362	Take off contaminated clothing and wash before reuse.
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P370	In case of fire:
P371	In case of major fire and large quantities:
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P373	DO NOT fight fire when fire reaches explosives.
P374	Fight fire with normal precautions from a reasonable distance.
P376	Stop leak if safe to do so. Oxidising gases (section 2.4) 1
P377	Leaking gas fire: Do not extinguish, unless leak can be stopped safely.
P378
P380	Evacuate area.
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P390	Absorb spillage to prevent material damage.
P391	Collect spillage. Hazardous to the aquatic environment
P301 + P310	IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician.
P301 + P312	IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
P301 + P330 + P331	IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.
P302 + P334	IF ON SKIN: Immerse in cool water/wrap in wet bandages.
P302 + P350	IF ON SKIN: Gently wash with plenty of soap and water.
P303 + P361 + P353	IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.
P304 + P312	IF INHALED: Call a POISON CENTER or doctor/physician if you feel unwell.
P304 + P340	IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.
P304 + P341	IF INHALED: If breathing is difficult, remove victim to fresh air and keep at rest in a position comfortable for breathing.
P305 + P351 + P338	IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
P306 + P360	IF ON CLOTHING: Rinse Immediately contaminated CLOTHING and SKIN with plenty of water before removing clothes.
P307 + P311	IF exposed: call a POISON CENTER or doctor/physician.
P308 + P313	IF exposed or concerned: Get medical advice/attention.
P309 + P311	IF exposed or if you feel unwell: call a POISON CENTER or doctor/physician.
P332 + P313	IF SKIN irritation occurs: Get medical advice/attention.
P333 + P313	IF SKIN irritation or rash occurs: Get medical advice/attention.
P335 + P334	Brush off loose particles from skin. Immerse in cool water/wrap in wet bandages.
P337 + P313	IF eye irritation persists: Get medical advice/attention.
P342 + P311	IF experiencing respiratory symptoms: call a POISON CENTER or doctor/physician.
P370 + P376	In case of fire: Stop leak if safe to Do so.
P370 + P378	In case of fire:
P370 + P380	In case of fire: Evacuate area.
P370 + P380 + P375	In case of fire: Evacuate area. Fight fire remotely due to the risk of explosion.
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Storage
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P402 + P404	Store in a dry place. Store in a closed container.
P403 + P233	Store in a well-ventilated place. Keep container tightly closed.
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Disposal
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Purity	Size	Price	VIP Price	USA Stock *0-1 Day	Global Stock *5-7 Days	Quantity
{[ item.p_purity ]}	{[ item.pr_size ]}	{[ getRatePrice(item.pr_usd, 1,1) ]} {[ getRatePrice(item.pr_usd,item.pr_rate,item.mem_rate) ]}	{[ getRatePrice(item.pr_usd, 1,1) ]}	Inquiry {[ getRatePrice(item.pr_usd,item.pr_rate,item.mem_rate) ]} {[ getRatePrice(item.pr_usd,1,item.mem_rate) ]}	{[ item.pr_usastock ]}	Inquiry -	{[ item.pr_chinastock ]}	Inquiry -

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

[ CAS No. 80866-75-7 ] {[proInfo.proName]}

Quality Control of [ 80866-75-7 ]

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[ 80866-75-7 ] Synthesis Path-Upstream 1~5

[ 80866-75-7 ] Synthesis Path-Downstream 1~87

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Aryls

Alcohols

Nitroes

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[ 80866-75-7 ]