[ CAS No. 103177-37-3 ]

Name: 103177-37-3|N-(4-Oxo-2-(1H-tetrazol-5-yl)-4H-chromen-8-yl)-4-(4-phenylbutoxy)benzamide|98%
Brand: Ambeed
SKU: A108288
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{[proInfo.proName]} (Synonyms:Pranlukast) ,{[proInfo.pro_purity]}

Cat. No.: {[proInfo.prAm]}

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Quality Control of [ 103177-37-3 ]

COA NMR CNMR HPLC LC-MS

Related Doc. of [ 103177-37-3 ]

SDS Specification

Alternatived Products of [ 103177-37-3 ]

Product Details of [ 103177-37-3 ]

CAS No. :	103177-37-3	MDL No. :	MFCD00864631
Formula :	C₂₇H₂₃N₅O₄	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	NBQKINXMPLXUET-UHFFFAOYSA-N
M.W :	481.50	Pubchem ID :	4887
Synonyms :	Pranlukast

Calculated chemistry of [ 103177-37-3 ]

Physicochemical Properties

Num. heavy atoms :	36
Num. arom. heavy atoms :	27
Fraction Csp3 :	0.15
Num. rotatable bonds :	10
Num. H-bond acceptors :	7.0
Num. H-bond donors :	2.0
Molar Refractivity :	135.27
TPSA :	123.0 Å²

Pharmacokinetics

GI absorption :	Low
BBB permeant :	No
P-gp substrate :	Yes
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	Yes
CYP2C9 inhibitor :	Yes
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	Yes
Log Kp (skin permeation) :	-6.17 cm/s

Lipophilicity

Log Po/w (iLOGP) :	3.07
Log Po/w (XLOGP3) :	4.32
Log Po/w (WLOGP) :	4.44
Log Po/w (MLOGP) :	3.07
Log Po/w (SILICOS-IT) :	5.12
Consensus Log Po/w :	4.0

Druglikeness

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

Water Solubility

Log S (ESOL) :	-5.44
Solubility :	0.00174 mg/ml ; 0.00000361 mol/l
Class :	Moderately soluble
Log S (Ali) :	-6.62
Solubility :	0.000116 mg/ml ; 0.000000242 mol/l
Class :	Poorly soluble
Log S (SILICOS-IT) :	-10.46
Solubility :	0.0000000168 mg/ml ; 0.0 mol/l
Class :	Insoluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	3.0
Synthetic accessibility :	3.64

Safety of [ 103177-37-3 ]

Signal Word:	Danger	Class:	4.1
Precautionary Statements:	P240-P210-P241-P264-P280-P302+P352-P370+P378-P337+P313-P305+P351+P338-P362+P364-P332+P313	UN#:	1325
Hazard Statements:	H315-H319-H228	Packing Group:	Ⅲ
GHS Pictogram:

Application In Synthesis of [ 103177-37-3 ]

* 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 [ 103177-37-3 ]
Downstream synthetic route of [ 103177-37-3 ]

[ 103177-37-3 ] Synthesis Path-Upstream 1~12

1
[ 863029-60-1 ]
[ 103177-37-3 ]

Yield	Reaction Conditions	Operation in experiment
81%	With potassium phosphate; N,N`-dimethylethylenediamine In DMF (N,N-dimethyl-formamide) at 100℃; for 48 h;	Under the nitrogen atmosphere, the purified product obtained in Example 1 (108 mg, 0.40 mmol), the purified product obtained in Example 3 (68 mg, 0.20 mmol), Cul (11.4 mg, 0.04 mmol), potassium phosphate (255 mg, 0.80 mmol) and N, N'- dimethylethylenediamine (13 uL, 0. 08 mmol) were mixed together. The mixture was then added with anhydrous dimethylformamide (1 mL) and stirred at 100 °C for two days. The reaction solution was cooled to room temperature and added with water (15 mL). The resulting solution was acidified to pHl-2 by adding a saturated HCl solution. The precipitated solid was filtered and the resulting solid was suspended in methanol (l0mL) and then filtered to remove the remaining purified product obtained in Example 1. The obtained solid was dissolved in methanol (7mL) by adding sodium acetate (32 mg, 0.40 mmol) and then filtered. The filtrate was added with saturated HCl solution. The precipitated solid was filtered, washed with cold methanol and then dried under vacuum to obtain the target compound as a pale yellow solid (77 mg, 81percent).

Reference： [1] Patent: WO2005/77942, 2005, A1, . Location in patent: Page/Page column 7; 14; 18

2
[ 108807-05-2 ]
[ 110683-23-3 ]
[ 103177-37-3 ]

Reference： [1] Patent: WO2010/2075, 2010, A1, . Location in patent: Page/Page column 17-18

3
[ 174403-16-8 ]
[ 103177-37-3 ]

Reference： [1] Patent: US5874593, 1999, A,

4
[ 1229412-35-4 ]
[ 103177-37-3 ]

Yield	Reaction Conditions	Operation in experiment
95%	With TRILITE SCR-B gel type In methanol for 5 h; Reflux	To 10 g of N-(4-oxo-2-(l-trityl-lH-tetrazol-5-yl)-4H-chromen-8-yl)-4-(4- phenylbutoxy) benzamide (Pharmacostech) was added 100 ml of methanol, and 10 g of a resin pre-treated with hydrochloric acid of pH 2-3 (TRILITE SCR-B gel type,Mitsubishi Chemical Co.) was added to the reaction mixture, followed by refluxing for5 hours. The solid components were filtered out from the reaction mixture and washed with 100 ml of methanol. The filter-in solution was subject to vacuum distillation to obtain a solid substance and the solid was dissolved in 50 ml of dimethyl acetamide (DMAC). Afterwards, 200 ml of aqueous solution was added to the DMAC solution and stirred for 1 hour at room temperature. Then, the solid formed was filtered out, dried, and left for 5 hours at room temperature to give 6.32 g (yield:95percent) of the standard compound represented by the following Formula 5: melting point, 231-233⁰C (decomposed); ¹H-NMR (DMSOd₆, 300 MHz), δ 1.9 (m, 4H), 2,7 (m,2H), 4.0 (t, 2H), 7.0 (s, 2H), 7.1 (s, IH), 7.2-7.3 (m, 5H), 7.6 (t, IH), 7.9 (t, IH), 8.0(m, 2H), 8.3 (t, IH), 10.0 (bs, IH).

Reference： [1] Patent: WO2010/67913, 2010, A1, . Location in patent: Page/Page column 11

5
[ 125620-28-2 ]
[ 144-55-8 ]
[ 103177-37-3 ]

Reference： [1] Patent: US5597929, 1997, A,

6
[ 4830-93-7 ]
[ 103177-37-3 ]

Reference： [1] Journal of Medicinal Chemistry, 1988, vol. 31, # 1, p. 84 - 91

7
[ 99-76-3 ]
[ 103177-37-3 ]

Reference： [1] Journal of Medicinal Chemistry, 1988, vol. 31, # 1, p. 84 - 91

8
[ 136450-05-0 ]
[ 103177-37-3 ]

Reference： [1] Journal of Medicinal Chemistry, 1988, vol. 31, # 1, p. 84 - 91

9
[ 30131-16-9 ]
[ 110683-22-2 ]
[ 103177-37-3 ]

Reference： [1] Journal of Medicinal Chemistry, 1988, vol. 31, # 1, p. 84 - 91

10
[ 70977-72-9 ]
[ 103177-37-3 ]

Reference： [1] Patent: CN106588897, 2017, A,

11
[ 30131-16-9 ]
[ 103177-37-3 ]

Reference： [1] Patent: CN106588897, 2017, A,

12
[ 55408-10-1 ]
[ 136450-06-1 ]
[ 103177-37-3 ]

Reference： [1] Synthetic Communications, 1997, vol. 27, # 6, p. 1065 - 1073

[ 103177-37-3 ] Synthesis Path-Downstream 1~19

1
[ 30131-16-9 ]
[ 110683-22-2 ]
[ 103177-37-3 ]

Reference： [1]Journal of Medicinal Chemistry,1988,vol. 31,p. 84 - 91

2
[ 55408-10-1 ]
[ 136450-06-1 ]
[ 103177-37-3 ]

Reference： [1]Synthetic Communications,1997,vol. 27,p. 1065 - 1073

3
1H-Tetrazole-5-carboxylic acid 2-acetyl-6-[4-(4-phenyl-butoxy)-benzoylamino]-phenyl ester [ No CAS ]
[ 103177-37-3 ]
1H-Tetrazole-5-carboxylic acid {4-oxo-2-[4-(4-phenyl-butoxy)-phenyl]-4H-chromen-8-yl}-amide [ No CAS ]

Reference： [1]Synthetic Communications,1997,vol. 27,p. 1065 - 1073
[2]Synthetic Communications,1997,vol. 27,p. 1065 - 1073

4
[ 4830-93-7 ]
[ 103177-37-3 ]

Reference： [1]Journal of Medicinal Chemistry,1988,vol. 31,p. 84 - 91

5
[ 99-76-3 ]
[ 103177-37-3 ]

Reference： [1]Journal of Medicinal Chemistry,1988,vol. 31,p. 84 - 91

6
[ 136450-05-0 ]
[ 103177-37-3 ]

Reference： [1]Journal of Medicinal Chemistry,1988,vol. 31,p. 84 - 91

7
8-iodo-4-oxo-2-tetrazol-5-yl-1H-1-benzopyran [ No CAS ]
[ 863029-60-1 ]
[ 103177-37-3 ]

Yield	Reaction Conditions	Operation in experiment
81%	With potassium phosphate; N,N`-dimethylethylenediamine;copper(l) iodide; In DMF (N,N-dimethyl-formamide); at 100℃; for 48.0h;	Under the nitrogen atmosphere, the purified product obtained in Example 1 (108 mg, 0.40 mmol), the purified product obtained in Example 3 (68 mg, 0.20 mmol), Cul (11.4 mg, 0.04 mmol), potassium phosphate (255 mg, 0.80 mmol) and N, N'- dimethylethylenediamine (13 uL, 0. 08 mmol) were mixed together. The mixture was then added with anhydrous dimethylformamide (1 mL) and stirred at 100 C for two days. The reaction solution was cooled to room temperature and added with water (15 mL). The resulting solution was acidified to pHl-2 by adding a saturated HCl solution. The precipitated solid was filtered and the resulting solid was suspended in methanol (l0mL) and then filtered to remove the remaining purified product obtained in Example 1. The obtained solid was dissolved in methanol (7mL) by adding sodium acetate (32 mg, 0.40 mmol) and then filtered. The filtrate was added with saturated HCl solution. The precipitated solid was filtered, washed with cold methanol and then dried under vacuum to obtain the target compound as a pale yellow solid (77 mg, 81%).

Reference： [1]Patent: WO2005/77942,2005,A1 .Location in patent: Page/Page column 7; 14; 18

8
[ 174403-16-8 ]
[ 103177-37-3 ]

Yield	Reaction Conditions	Operation in experiment
	With sodium nitrite; In water; acetic acid;	Example 17 First, 2.08 g (4.11 mmol) of [8-[4-(4-phenylbutoxy)benzoyl]amino-4-oxo-4H-benzopyran-2-yl]amidrazone was dissolved in 180 g of acetic acid, and 60 g of water and 0.42 g (6.17 mmol) of sodium nitrite were added threreto, followed by stirring at 0-2 C. for 2 hours. After the completion of the reaction was checked, the reaction mixture was filtered to give 8-[4-(4-phenylbutoxy)benzoyl]amino-2-(tetrazol-5-yl)-4-oxo-4H-benzopyran. Product amount, 1.97 g; yield, 96%

Reference： [1]Patent: US5874593,1999,A

9
4-oxo-8-[4-(4'-phenylbutoxy)benzoylamino]-2-(2-hydroxytetrazol-5-yl)-4H-1-benzopyran [ No CAS ]
[ 103177-37-3 ]

Yield	Reaction Conditions	Operation in experiment
71%	titanium tetrachloride; In tetrahydrofuran;	Preparation of Pranlukast from either 4-oxo-8-[4-(4-phenylbutoxy)benzoylamino]-2-(2-hydroxytetrazol-5-yl)-4H-1-benzopyran or 4-oxo-8-[4-(4-phenylbutoxy)benzoylamino]-2-(1-hydroxytetrazol-5-yl)-4H-1-benzopyran. To a suspension of titanium tetrachloride (0.49 ml, 1.8 mole equivalents) in tetrahydrofuran (2.5 ml) was added lithium aluminium hydride (123 mg, 1.3 mole equivalents) to produce a black suspension of titanium (0) which was stirred for 15 minutes. 4-Oxo-8-[4-(4-phenylbutoxy)benzoylamino]-2-(2-hydroxytetrazol-5-yl)-4H-1-benzopyran (1.24, 1 mole equivalent) was added, together with additional tetrahydrofuran (5 ml). The mixture was stirred for 60 minutes at room temperature and then heated at reflux for 90 minutes to give pranlukast in 71% solution yield. The same yield was obtained using 4-oxo-8-[4-(4-phenylbutoxy)benzoylamino]-2-(1-hydroxytetrazol-5-yl)-4H-1-benzopyran under the above conditions, although a reaction mixture of only 30 minutes at room temperature was required.

Reference： [1]Patent: US6069257,2000,A

Yield	Reaction Conditions	Operation in experiment
85%		EXAMPLE 2 The reaction was effected according to Example 1, except that 3-[4-(4-phenyl-1-butoxy)benzoyl]amino-2-hydroxyacetophenone was used as the starting material in place of 2-hydroxyacetophenone used in Example 1, which afforded 3.0 g of 8-[4-(4-phenylbutoxy)benzoyl]amino-2-(1H-tetrazol-5-yl)-4-oxo-4H-benzopyran. Yield, 85%.
		EXAMPLE 2 Preparation of 4-oxo-8-[4-(4-phenylbutoxy)benzoylamino]-2-(tetrazol-5-yl)-4H-1-benzopyran Methanesulphonyl chloride (2.7 ml, 1.6 eq) was added to a stirred suspension of disodium tetrazole-5-carboxylate (5.0 g, 1.4 eq) in DMF (75 ml) at ambient temperature under a blanket of nitrogen. The mixture was stirred for 2 h at ambient temperature, then treated with pyridine (10 ml, 5.7 eq) followed by 3-[4-(phenylbutoxy)benzoylamino]-2-hydroxyacetophenone (9.0 g, 1.0 eq). The resulting reaction mixture was quenched with 2M aqueous hydrochloric acid. The intermediate phenyl ester was extracted into ethyl acetate, the organic layer washed, dried and evaporated to give the crude phenyl ester in 90% conversion (estimated by 1 H NMR spectroscopy). A solution of the crude phenol ester (2.0 g, 1.0 eq) in DMF (5 ml) was added dropwise to a stirred solution of potassium tert-butoxide (2.0 g, 4.0 eq) in DMF (10 ml) at about 5 C. under a blanket of nitrogen. The resulting mixture was stirred at about 5 C. for 45 min, then quenched into 2M aqueous hydrochloric acid. The required beta-diketone was isolated in 50% yield by filtration, washed with water and dried in vacuo. The crude beta-diketone (0.3 g, 1.0 eq) was suspended in methanol (3 ml), treated with concentrated sulphuric acid (0.2 ml) and the resulting mixture was heated at reflux for 5 h. The reaction mixture was cooled, filtered, washed and the solid dried to give 4-oxo-8-[4-(4-phenylbutoxy)benzoylamino]-2-(tetrazol-5-yl)-4H-1-benzopyran in 77% yield. The product was identified by HPLC comparison with an authentic sample.
		A compound according to claim 14, wherein the compound is selected from the group consisting of 8-[p-(3-phenylpropoxy)benzoyl]amino-2-(5-tetrazolyl)-4-oxo-4H-1-benzopyran, 8-[p-(3-phenyl-2E-propenyloxy)benzoyl]amino-2-(5-tetrazolyl)-4-oxo-4H-1-benzopyran, 8-[p-(4-phenylbutoxy)benzoyl]amino-2-(5-tetrazolyl)-4-oxo-4H-1-benzopyran, 8-[p-(4-phenylbutoxy)benzoyl]amino-2-(5-tetrazolyl)-6-methyl-4-oxo-4H-1-benzopyran, 8-[p-[2-(2-naphthyl)ethoxy]benzoyl]amino-2-(5-tetrazolyl)-4-oxo-4H-1-benzopyran, 8-[p-[2-(2-naphthyl)ethoxy]benzoyl]amino-2-(5-tetrazolyl)-6-methyl-4-oxo-4H-1-benzopyran 8-[p-[3-(3,4-dichlorophenyl)propoxy]benzoyl]amino-2-(5-tetrazolyl)-4-oxo-4H-1-benzopyran, 8-[p-[3-(3,4-dichlorophenyl)propoxy]benzoyl]amino-2-(5-tetrazolyl)-4-oxo-4H-1-benzopyran, 8-[p-[3-(p-chlorophenyl)butoxy]benzoyl]amino-2-(5-tetrazolyl)-4-oxo-4H-1-benzopyran, ...

11
[ 125620-28-2 ]
8-[4-(4-phenylbutoxy)benzoyl]amino-2-(N-benzyltetrazol-5-yl)-4-oxo-4H-benzopyran [ No CAS ]
[ 144-55-8 ]
[ 103177-37-3 ]

Yield	Reaction Conditions	Operation in experiment
	In ethanol;	EXAMPLE 4 In 10 ml of ethanol was dissolved 0.5 g of 8-[4-(4-phenylbutoxy)benzoyl]amino-2-(N-benzyltetrazol-5-yl)-4-oxo-4H-benzopyran, to which 0.03 g of 5% Pd--C was added, and the mixture was stirred under hydrogen atmosphere at room temperature for 24 hours. After completion of the reaction was confirmed, 1.62 g of 5% aqueous NaHCO3 solution was added, and the reaction mixture was filtered. The filtrate was poured into 10% aqueous acetic acid, and the deposited solid was filtered out. The crystals obtained by filtration were washed with ethanol and then dried to give 8-[4-(4-phenylbutoxy)benzoyl]amino-2-(1H-tetrazol-5-yl)-4-oxo-4H-benzopyran.

Reference： [1]Patent: US5597929,1997,A

12
[ 108807-05-2 ]
[ 110683-23-3 ]
[ 103177-37-3 ]

Yield	Reaction Conditions	Operation in experiment
	With triethylamine; In ISOPROPYLAMIDE; at 0 - 25℃;	4-(4-phenylbutoxy)benzoic acid (29.1 g; 1.1 equivalent ratio; prepared according to the method disclosed in US Pat. No. 4,780,469) was dissolved in 80 ml dimethylacetamide (DMAC, Aldrich) at 00C and then thionyl chloride (14.2 g, 1.2 equivalent ratio, Aldrich) was gradually added to the solution. After the mixture solution was stirred for 10 min at 00C, the mixture of 8-amino-4-oxo-tetrazol-5-yl-4H- 1-benzopyran hydrochloride salt (26.7 g; 1 equivalent ratio; prepared according to the method disclosed in US Pat. No. 4,780,469) and triethylamine (TEA, 10.1 g, 1 equivalent ratio, Aldrich) dissolved in 80 ml dimethylacetamide (DMAC, Aldrich) was slowly added to the mixture solution, and thermally stirred for 5 hrs at 25C. The reaction mixture was mixed with 300 ml H2O and stirred for 1 hr at 250C. The solid material obtained by filtering the solid material produced was washed with 100 ml H2O. 200 ml 50% acetone aqueous solution was added to the solid material and then refluxed for 1 hr. After the reaction mixture was cooled to room temperature, filtered and air-dried, the mixture was kept to stand on air for 5 hrs, obtaining 47.0 g pranlukart hemihydrates (yield rate: 98%): melting point 231-233C (decomposition); 1H-NMR (DMSO-d6, 300 MHz) delta 1.9 (m, 4H), 2,7 (m, 2H), 4.0 (t, 2H), 7.0 (s, 2H), 7.1 (s, IH), 7.2-7.3 (m, 5H), 7.6 (t, IH), 7.9 (t, IH), 8.0 (m, 2H), 8.3 (t, IH), 10.0 (bs, IH).

Reference： [1]Patent: WO2010/2075,2010,A1 .Location in patent: Page/Page column 17-18

13
[ 1229412-35-4 ]
[ 103177-37-3 ]

Yield	Reaction Conditions	Operation in experiment
95%	With TRILITE SCR-B gel type; In methanol; for 5.0h;Reflux;Product distribution / selectivity;	To 10 g of N-(4-oxo-2-(l-trityl-lH-tetrazol-5-yl)-4H-chromen-8-yl)-4-(4- phenylbutoxy) benzamide (Pharmacostech) was added 100 ml of methanol, and 10 g of a resin pre-treated with hydrochloric acid of pH 2-3 (TRILITE SCR-B gel type,Mitsubishi Chemical Co.) was added to the reaction mixture, followed by refluxing for5 hours. The solid components were filtered out from the reaction mixture and washed with 100 ml of methanol. The filter-in solution was subject to vacuum distillation to obtain a solid substance and the solid was dissolved in 50 ml of dimethyl acetamide (DMAC). Afterwards, 200 ml of aqueous solution was added to the DMAC solution and stirred for 1 hour at room temperature. Then, the solid formed was filtered out, dried, and left for 5 hours at room temperature to give 6.32 g (yield:95%) of the standard compound represented by the following Formula 5: melting point, 231-2330C (decomposed); 1H-NMR (DMSOd6, 300 MHz), delta 1.9 (m, 4H), 2,7 (m,2H), 4.0 (t, 2H), 7.0 (s, 2H), 7.1 (s, IH), 7.2-7.3 (m, 5H), 7.6 (t, IH), 7.9 (t, IH), 8.0(m, 2H), 8.3 (t, IH), 10.0 (bs, IH).

Reference： [1]Patent: WO2010/67913,2010,A1 .Location in patent: Page/Page column 11

14
2-[4-(4-phenylbutoxy)benzoylamino]-6-(1,3-dicarbonyl-3-tetrazolyl)phenol [ No CAS ]
[ 103177-37-3 ]

Yield	Reaction Conditions	Operation in experiment
93%	With sulfuric acid; In ethanol; for 2.0h;Reflux;	A mixture of 4.2- [4- (4-phenylbutoxy) benzoylamino] -6- (1,3-dicarbonyl-3-tetrazolyl)Dissolved in 400 ml of anhydrous ethanol, ice bath slowly dropping 90g concentrated sulfuric acid,After the dropwise addition, the temperature was slowly raised to reflux, after 2 hours of reaction, The reaction was terminated, cooled to room temperature, and a large amount of the white solid precipitated. The filter cake was washed with ice ethanol and recrystallized from 70% ethanol to give 207 g of a white solid in 93% yield.

Reference： [1]Patent: CN106588897,2017,A .Location in patent: Paragraph 0021

15
[ 70977-72-9 ]
[ 103177-37-3 ]

Reference： [1]Patent: CN106588897,2017,A

16
[ 30131-16-9 ]
[ 103177-37-3 ]

Reference： [1]Patent: CN106588897,2017,A

17
[ 586-76-5 ]
[ 103177-37-3 ]

Reference： [1]Patent: CN108947984,2018,A

18
[ 3360-41-6 ]
4-bromo-N-(4-oxo-2-(1H-tetrazol-5-yl)-4H-benzopyrone-8-yl)benzamide [ No CAS ]
[ 103177-37-3 ]

Yield	Reaction Conditions	Operation in experiment
88.7%	With palladium diacetate; potassium carbonate; In toluene; at 100℃; for 8.0h;	To a 500 mL three-necked flask, 37.65 g (0.082 mol) of 4-bromo-N-(4-oxo-2-(1H-tetrazol-5-yl)-4H-benzopyrone-8-yl)benzamide was added. 12.3 g (0.082 mol) of 4-phenylbutanol, 14.7 g (0.107 mol) of potassium carbonate,0.18 g of palladium acetate and 300 mL of toluene, and the mixture was heated to 100 C with stirring, and the reaction was kept for 8 hours. HPLC detection,The reaction is complete, the temperature is lowered to 20 C, the product is precipitated, and filtered. The crude product was obtained as a white solid. The crude product was taken up in 150 mL of DMF (N,N-dimethylformamide), and the mixture was warmed to 80 C, dissolved and filtered, and the filtrate was added with 200 mL of isopropanol.The temperature was lowered to 20 C, stirred and crystallized for 2 hours, filtered, and dried to obtain 35.01 g of a white solid pranlukast, the yield was 88.7%, and the purity was 99.89%.

Reference： [1]Patent: CN108947984,2018,A .Location in patent: Paragraph 0030; 0033; 0038-0040; 0045-0047; 0052-0053

19
[ 586-75-4 ]
[ 103177-37-3 ]

Reference： [1]Patent: CN108947984,2018,A

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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:
P333	If skin irritation or rash occurs:
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.
P361	Remove/Take off immediately all contaminated clothing.
P362	Take off contaminated clothing and wash before reuse.
P363	Wash contaminated clothing before reuse.
P370	In case of fire:
P371	In case of major fire and large quantities:
P372	Explosion risk in case of fire.
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.
P381	Eliminate all ignition sources if safe to do so.
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.
P371 + P380 + P375	In case of major fire and large quantities: Evacuate area. Fight fire remotely due to the risk of explosion.
Storage
Code	Phrase
P401
P402	Store in a dry place.
P403	Store in a well-ventilated place.
P404	Store in a closed container.
P405	Store locked up.
P406	Store in corrosive resistant/ container with a resistant inner liner.
P407	Maintain air gap between stacks/pallets.
P410	Protect from sunlight.
P411
P412	Do not expose to temperatures exceeding 50 oC/ 122 oF.
P413
P420	Store away from other materials.
P422
P402 + P404	Store in a dry place. Store in a closed container.
P403 + P233	Store in a well-ventilated place. Keep container tightly closed.
P403 + P235	Store in a well-ventilated place. Keep cool.
P410 + P403	Protect from sunlight. Store in a well-ventilated place.
P410 + P412	Protect from sunlight. Do not expose to temperatures exceeding 50 oC/122oF.
P411 + P235	Keep cool.
Disposal
Code	Phrase
P501	Dispose of contents/container to ...
P502	Refer to manufacturer/supplier for information on recovery/recycling

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

[ CAS No. 103177-37-3 ]

Quality Control of [ 103177-37-3 ]

Related Doc. of [ 103177-37-3 ]

Product Details of [ 103177-37-3 ]

Calculated chemistry of [ 103177-37-3 ]

Physicochemical Properties

Pharmacokinetics

Lipophilicity

Druglikeness

Water Solubility

Medicinal Chemistry

Safety of [ 103177-37-3 ]

Application In Synthesis of [ 103177-37-3 ]

[ 103177-37-3 ] Synthesis Path-Upstream 1~12

[ 103177-37-3 ] Synthesis Path-Downstream 1~19

Precautionary Statements-General

Prevention

Response

Storage

Disposal

Physical hazards

Health hazards

Environmental hazards

Inquiry