[ CAS No. 6296-53-3 ]

Name: N-(1,3-Dioxo-1,3-dihydroisobenzofuran-4-yl)acetamide
Brand: Ambeed
SKU: A313057
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Quality Control of [ 6296-53-3 ]

COA NMR CNMR HPLC LC-MS

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Product Details of [ 6296-53-3 ]

CAS No. :	6296-53-3	MDL No. :	MFCD00453138
Formula :	C₁₀H₇NO₄	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	N/A
M.W :	205.17	Pubchem ID :	226121
Synonyms :

Computed Properties of [ 6296-53-3 ]

TPSA :Topological Polar Surface Area	72.5	H-Bond Acceptor Count :	4
XLogP3 :	1	H-Bond Donor Count :	1
SP3 :	0.10	Rotatable Bond Count :	1

Safety of [ 6296-53-3 ]

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 [ 6296-53-3 ]

Upstream synthesis route of [ 6296-53-3 ]
Downstream synthetic route of [ 6296-53-3 ]

[ 6296-53-3 ] Synthesis Path-Upstream 1~6

1
[ 603-11-2 ]
[ 108-24-7 ]
[ 6296-53-3 ]

Yield	Reaction Conditions	Operation in experiment
83%	at 80 - 115℃; Autoclave	2-nitrophthalic acid (100. 0 g), acetic anhydride (1 L) was added to a hydrogenation kettle, heated to 80 ° C,After the raw material disappeared, the mixture was cooled to room temperature, 10percent Pd / C (3 g) was added, replaced with nitrogen twice, hydrogen was introduced to IMPa,The reaction is maintained at room temperature until no hydrogen is absorbed, vented, blown with nitrogen,Heated to 110-115 ° C reaction to the raw material or intermediate state disappeared,Hot filter, cooled to 0-5 ° C, filtered, washed with glacial acetic acid to give pale yellow crystals, dried 80. 6g, yield 83percent, HPLC 99. 0percent.

Reference： [1] Patent: CN105294534, 2016, A. Location in patent: Paragraph 0036; 0037

2
[ 5434-20-8 ]
[ 108-24-7 ]
[ 6296-53-3 ]

Yield	Reaction Conditions	Operation in experiment
78.5%	for 4.00 h; Reflux	Example 2;- The Example 1 of the 3-amino-phthalic acid 28.0g (0.15mol) by adding 250 ml of the flask, then adding acetic anhydride 100 ml, was heated to reflux for 4h. The reaction followed by TLC to obtain 3-acetamido-phthalic anhydride. After completion of the reaction, the reaction flask placed in an ice water bath and stirred for 15min, then the solid separated; of diethyl ether was added with stirring, suction filtered and washed with diethyl ether to give a pale yellow flaky solid obtained after drying weighed 24. 9g, yield 78 . 5percent. mp: 180~182 ° C. IR (KBr): 3351,1841 ; 1766 ; 1700 ; 1603 cm -1. 1 HNMR (400MHz, CDCl 3): 2.34 (s, 3H), 7.69 (d, J=7.3Hz, 1H), 7.82-7.93 (m, 1H), 8.97 (d, J=8.5Hz, 1H), 9.12 (s, 1H) .MS (EI): 205 [M +].
61%	at 0 - 5℃; for 4.00 h; Heating / reflux	A mixture of 3-aminophthalic acid (108 g, 596 mmol) and acetic anhydride (550 mL) was charged into a 1-L 3-necked round bottom flask equipped with a mechanical stirrer, a thermometer, and a condenser. The reaction mixture was refluxed for 3 hours, cooled to ambient temperature, and kept at 0-5° C. for another 1 hour. The crystalline solid was collected by vacuum filtration and washed with ether. The solid product was dried in vacuum at ambient temperature to a constant weight to yield 75 g (61percent yield) of 3-acetamidopthalic anhydride as a white product. The product in CDCl₃was characterized by a ¹H NMR spectrum showing the following chemical shifts (δ in ppm): 2.21 (s, 3H), 7.76 (d, 1H), 7.94 (t, 1H), 8.42 (d, 1H), 9.84 (s, 1H).
61%	for 3.00 h; Reflux	A 1 L 3-necked round bottom flask was equipped with a mechanical stirrer, thermometer,and condenser and charged with 3-aminophthalic acid (108 g, 596 mmol) and acetic anhydride (550mL). The reaction mixture was heated to reflux for 3 hours and cooled to ambient temperature andfurther to 0-5 ° C. for another 1 hour. The crystalline solid was collected by vacuum filtrationand washed with ether. The solid product was dried in vacua at ambient temperature to a constant weight, giving 75 g (61percent yield) of 3-acetamidopthalic anhydride as a white product. ‘H-NMR (CDC13) ö: 2.21 (s, 3H), 7.76 (d, 1H), 7.94 (t, 1H), 8.42 (d, 1H), 9.84 (s, 1H).

61%	for 3.00 h; Reflux	A I L 3-necked round bottom flask was equipped with a mechanical stirrer, thermometer, and condenser and charged with 3-aminophthalic acid (108 g, 596 mmol) and acetic anhydride (550 mL). The reaction mixture was heated to reflux for 3 hours and cooled to about 25 °C and further to 0-5 °C for another 1 hour. The crystalline solid was collected by vacuum filtration and washed with ether. The solid product was dried in vacuo at ambient temperature to a constant weight, giving 75 g (61percent yield) of 3-acetamidopthalic anhydride as a white product. 1H-NMR (CDCls) δ: 2.21 (s, 3H), 7.76 (d, 1H), 7.94 (t, 1H), 8.42 (d, 1H), 9.84 (s, 1H).
61%	for 3.00 h; Reflux	[0112j A 1 L 3-necked round bottom flask was equipped with a mechanical stirrer, thermometer, and condenser and charged with 3 -aminophthalic acid (108 g, 596 mmol) and acetic anhydride (550 mL). The reaction mixture was heated to reflux for 3 hours and cooled to ambient temperature and further to 0-5°C for another 1 hour. The crystalline solid was collected by vacuum filtration and washed with ether. The solid product was dried in vacuo at ambient temperature to a constant weight, giving 75 g (61percent yield) of 3-acetamidopthalic anhydride as a white product. ‘H-NMR (CDC13) ö: 2.21 (s, 3H), 7.76 (d, 1H), 7.94 (t, 1H), 8.42 (d, 1H), 9.84 (s, 1H).
61%	for 3.00 h; Reflux	A I L 3 -necked round bottom flask was equipped with a mechanical stirrer, thermometer, and condenser and charged with 3- aminophthalic acid (108 g, 596 mmol) and acetic anhydride (550 mL). The reaction mixture was heated to reflux for 3 hours and cooled to about 25 °C and further to 0-5 °C for another 1 hour. The crystalline solid was collected by vacuum filtration and washed with ether. The solid product was dried in vacuo at ambient temperature to a constant weight, giving 75 g (61 > yield) of 3-acetamidopthalic anhydride as a white product. 1H-NMR (CDCI3) δ: 2.21 (s, 3H), 7.76 (d, 1H), 7.94 (t, 1H), 8.42 (d, 1H), 9.84 (s, 1H).
61%	for 3.00 h; Reflux	6.2.2. Preparation of 3-Acetamidophthalic Anhydride A 1 L 3-necked round bottom flask was equipped with a mechanical stirrer, thermometer, and condenser and charged with 3-aminophthalic acid (108 g, 596 mmol) and acetic anhydride (550 mL). The reaction mixture was heated to reflux for 3 hours and cooled to ambient temperature and further to 0-5° C. for another 1 hour. The crystalline solid was collected by vacuum filtration and washed with ether. The solid product was dried in vacuo at ambient temperature to a constant weight, giving 75 g (61percent yield) of 3-acetamidopthalic anhydride as a white product. ¹H-NMR (CDCl₃) δ: 2.21 (s, 3H), 7.76 (d, 1H), 7.94 (t, 1H), 8.42 (d, 1H), 9.84 (s, 1H).
61%	for 3.00 h; Reflux	[0187] A I L 3 -necked round bottom flask was equipped with a mechanical stirrer, thermometer, and condenser and charged with 3-aminophthalic acid (108 g, 596 mmol) and acetic anhydride (550 mL). The reaction mixture was heated to reflux for 3 hours and cooled to ambient temperature and further to 0-5°C for another 1 hour. The crystalline solid was collected by vacuum filtration and washed with ether. The solid product was dried in vacuo at ambient temperature to a constant weight, giving 75 g (61percent yield) of 3-acetamidopthalic anhydride as a white product. 1H-NMR (CDC1₃) δ: 2.21 (s, 3H), 7.76 (d, 1H), 7.94 (t, 1H), 8.42 (d, 1H), 9.84 (s, 1H).
61%	for 3.00 h; Reflux	10215] A 1 L 3-necked round bottom flask was equipped with a mechanical stirrer, thermometer, and condenser and charged with 3-aminophthalic acid (108 g, 596 mmol) and acetic anhydride (550 mL). The reaction mixture was heated to reflux for 3 hours and cooled to about 25° C. and thrther to 0-5°C. for another 1 hout The crystalline solid was collected by vacuum filtration and washed with ethet The solid product was dried in vacuo at ambient temperature to a constant weight, giving 75 g (61percent yield) of 3-acetamidopthalic anhydride as a white product. ‘H-NMR (CDC13) ö: 2.21 (s, 3H), 7.76 (d, 1H), 7.94 (t, 1H), 8.42 (d, 1H), 9.84 (s, 1H).
61%	for 3.00 h; Reflux	A mixture of 3-aminophthalic acid (108 g, 596 mmol) and acetic anhydride (550 mE) was charged into a 1 -L 3-necked round bottom flask equipped with a mechanical stirrer, a thermometer, and a condenser. The reaction mixture was refluxed for 3 hours, cooled to ambient temperature, and kept at 0-5° C. for another 1 hout The crystalline solid was collected by vacuum filtration and washed with ether. The solid product was dried in vacuum at ambient temperature to a constant weight toyield 75 g (61percent yield) of 3-acetamidopthalic anhydride as a white product. The product in CDC13 was characterized by a ‘H NMR spectrum showing the following chemical shifts (ö in ppm): 2.21 (s, 3H), 7.76 (d, 1H), 7.94 (t, 1H), 8.42 (d, 1H), 9.84 (s, 1H).
728 g	Reflux	The unbaked product obtained in Example 1 was transferred to a 5 L three-necked flask, acetic anhydride (4. 5 L) was added,Heated to reflux for 1-2 hours, filtered while hot, washed with glacial acetic acid and then cooled to 0-5 ° C,Stir until the product is fully precipitated, filtered, washed with acetic acid,827 g of yellow needle-like crystals, about 12percent solvent, 728 g after drying, 75percent in two steps, HPLC 99.8percent.

Reference： [1] Patent: CN105330587, 2016, A. Location in patent: Paragraph 0035; 0036
[2] Patent: US2007/155791, 2007, A1. Location in patent: Page/Page column 14
[3] Patent: WO2014/74846, 2014, A1. Location in patent: Page/Page column 20; 21
[4] Patent: WO2014/151180, 2014, A1. Location in patent: Paragraph 0073
[5] Patent: WO2015/175773, 2015, A1. Location in patent: Paragraph 0112
[6] Patent: WO2016/25686, 2016, A1. Location in patent: Paragraph 0095
[7] Patent: US9272035, 2016, B2. Location in patent: Page/Page column 23
[8] Patent: WO2015/175956, 2015, A1. Location in patent: Paragraph 0187
[9] Patent: US2016/128981, 2016, A1. Location in patent: Paragraph 0215
[10] Patent: US9387195, 2016, B2. Location in patent: Page/Page column 27
[11] Journal of the American Chemical Society, 1909, vol. 31, p. 489
[12] Patent: WO2016/174685, 2016, A1. Location in patent: Page/Page column 11
[13] Patent: CN105294534, 2016, A. Location in patent: Paragraph 0028; 0029

3
[ 5434-20-8 ]
[ 6296-53-3 ]

Reference： [1] Patent: US2003/187052, 2003, A1
[2] Patent: US4456595, 1984, A
[3] Patent: US2012/276087, 2012, A1
[4] Patent: EP2962690, 2016, A1
[5] Patent: CN105622380, 2016, A

4
[ 108-24-7 ]
[ 6946-22-1 ]
[ 6296-53-3 ]

Yield	Reaction Conditions	Operation in experiment
94 g	at 100℃; for 15.00 h;	The compound of formula VII 0. 55mol, and 37percent concentrated hydrochloric acid was added 500mL one-neck flask 1L, 25 ° C was stirred for 15h, the water distilled off under reduced pressure, slurried with 300mL tetrahydrofuran 10min, the solvent was distilled off under reduced pressure was repeated twice to give an off-white solid 120g, Karl Fischer determination of water 0.5percent. This solid was added to a 2L four-neck flask, was added acetic anhydride 1. 2L, 100 ° C 15h reaction, acetic anhydride was distilled off under reduced pressure, cooling the residue was added 200 mL of methyl tert-butyl ether, heating 10min, filtered, washed with methyl tert-butyl ether was washed with 20mL solid was filtered, the filter cake was dried in vacuo at 40 ° C 5H, 94g of off-white solid, a yield of 83.3percent.
45 g	at 110℃; for 2.00 h;	A stirred solution of 3-aminophthalic acid hydrochloride (65.0gm) in acetic anhydride (195 ml) was heated to 110°C and maintained for 2.0 hr. The reaction mass was cooled to 5°C. The product was filtered, washed with cyclohexane and dried at 40°C for 6.0 hr to obtain 45.0gm of 3-acetamidophthalic anhydride.

Reference： [1] Patent: CN105622380, 2016, A. Location in patent: Paragraph 0064; 0065; 0066; 0067
[2] Patent: WO2017/33116, 2017, A1. Location in patent: Paragraph 00114

5
[ 603-11-2 ]
[ 6296-53-3 ]

Reference： [1] Journal of the American Chemical Society, 1909, vol. 31, p. 489
[2] Patent: US2012/276087, 2012, A1
[3] Patent: WO2014/74846, 2014, A1
[4] Patent: WO2015/175956, 2015, A1
[5] Patent: WO2014/151180, 2014, A1
[6] Patent: WO2015/175773, 2015, A1
[7] Patent: WO2016/25686, 2016, A1
[8] Patent: US9272035, 2016, B2
[9] Patent: CN105330587, 2016, A
[10] Patent: WO2016/174685, 2016, A1
[11] Patent: CN105294534, 2016, A
[12] Patent: WO2017/33116, 2017, A1

6
[ 641-70-3 ]
[ 6296-53-3 ]

Reference： [1] Annales Pharmaceutiques Francaises, 1958, vol. 16, p. 421,425

[ 6296-53-3 ] Synthesis Path-Downstream 1~10

2
[ 7446-70-0 ]
[ 6296-53-3 ]
[ 71-43-2 ]
[ 68854-23-9 ]
7-amino-3,3-diphenyl-phthalide [ No CAS ]
[ 13711-56-3 ]

Reference： [1]Journal of the American Chemical Society,1920,vol. 42,p. 1876

3
[ 7446-70-0 ]
[ 6296-53-3 ]
[ 71-43-2 ]
[ 68854-23-9 ]
4-amino-3,3-diphenyl-phthalide [ No CAS ]
[ 13711-56-3 ]

Reference： [1]Journal of the American Chemical Society,1920,vol. 42,p. 1876

4
[ 5434-20-8 ]
[ 108-24-7 ]
[ 6296-53-3 ]

Yield	Reaction Conditions	Operation in experiment
78.5%	for 4h;Reflux;	Example 2;- The Example 1 of the 3-amino-phthalic acid 28.0g (0.15mol) by adding 250 ml of the flask, then adding acetic anhydride 100 ml, was heated to reflux for 4h. The reaction followed by TLC to obtain <strong>[6296-53-3]3-acetamido-phthalic anhydride</strong>. After completion of the reaction, the reaction flask placed in an ice water bath and stirred for 15min, then the solid separated; of diethyl ether was added with stirring, suction filtered and washed with diethyl ether to give a pale yellow flaky solid obtained after drying weighed 24. 9g, yield 78 . 5percent. mp: 180~182 ° C. IR (KBr): 3351,1841 ; 1766 ; 1700 ; 1603 cm -1. 1 HNMR (400MHz, CDCl 3): 2.34 (s, 3H), 7.69 (d, J=7.3Hz, 1H), 7.82-7.93 (m, 1H), 8.97 (d, J=8.5Hz, 1H), 9.12 (s, 1H) .MS (EI): 205 [M +].
61%	at 0 - 5℃; for 4h;Heating / reflux;	A mixture of 3-aminophthalic acid (108 g, 596 mmol) and acetic anhydride (550 mL) was charged into a 1-L 3-necked round bottom flask equipped with a mechanical stirrer, a thermometer, and a condenser. The reaction mixture was refluxed for 3 hours, cooled to ambient temperature, and kept at 0-5° C. for another 1 hour. The crystalline solid was collected by vacuum filtration and washed with ether. The solid product was dried in vacuum at ambient temperature to a constant weight to yield 75 g (61percent yield) of 3-acetamidopthalic anhydride as a white product. The product in CDCl3 was characterized by a 1H NMR spectrum showing the following chemical shifts (delta in ppm): 2.21 (s, 3H), 7.76 (d, 1H), 7.94 (t, 1H), 8.42 (d, 1H), 9.84 (s, 1H).
61%	for 3h;Reflux;	A 1 L 3-necked round bottom flask was equipped with a mechanical stirrer, thermometer,and condenser and charged with 3-aminophthalic acid (108 g, 596 mmol) and acetic anhydride (550mL). The reaction mixture was heated to reflux for 3 hours and cooled to ambient temperature andfurther to 0-5 ° C. for another 1 hour. The crystalline solid was collected by vacuum filtrationand washed with ether. The solid product was dried in vacua at ambient temperature to a constant weight, giving 75 g (61percent yield) of 3-acetamidopthalic anhydride as a white product. ?H-NMR (CDC13) oe: 2.21 (s, 3H), 7.76 (d, 1H), 7.94 (t, 1H), 8.42 (d, 1H), 9.84 (s, 1H).

61%	for 3h;Reflux;	A I L 3-necked round bottom flask was equipped with a mechanical stirrer, thermometer, and condenser and charged with 3-aminophthalic acid (108 g, 596 mmol) and acetic anhydride (550 mL). The reaction mixture was heated to reflux for 3 hours and cooled to about 25 °C and further to 0-5 °C for another 1 hour. The crystalline solid was collected by vacuum filtration and washed with ether. The solid product was dried in vacuo at ambient temperature to a constant weight, giving 75 g (61percent yield) of 3-acetamidopthalic anhydride as a white product. 1H-NMR (CDCls) delta: 2.21 (s, 3H), 7.76 (d, 1H), 7.94 (t, 1H), 8.42 (d, 1H), 9.84 (s, 1H).
61%	for 3h;Reflux;	[0112j A 1 L 3-necked round bottom flask was equipped with a mechanical stirrer, thermometer, and condenser and charged with 3 -aminophthalic acid (108 g, 596 mmol) and acetic anhydride (550 mL). The reaction mixture was heated to reflux for 3 hours and cooled to ambient temperature and further to 0-5°C for another 1 hour. The crystalline solid was collected by vacuum filtration and washed with ether. The solid product was dried in vacuo at ambient temperature to a constant weight, giving 75 g (61percent yield) of 3-acetamidopthalic anhydride as a white product. ?H-NMR (CDC13) oe: 2.21 (s, 3H), 7.76 (d, 1H), 7.94 (t, 1H), 8.42 (d, 1H), 9.84 (s, 1H).
61%	for 3h;Reflux;	A I L 3 -necked round bottom flask was equipped with a mechanical stirrer, thermometer, and condenser and charged with 3- aminophthalic acid (108 g, 596 mmol) and acetic anhydride (550 mL). The reaction mixture was heated to reflux for 3 hours and cooled to about 25 °C and further to 0-5 °C for another 1 hour. The crystalline solid was collected by vacuum filtration and washed with ether. The solid product was dried in vacuo at ambient temperature to a constant weight, giving 75 g (61 > yield) of 3-acetamidopthalic anhydride as a white product. 1H-NMR (CDCI3) delta: 2.21 (s, 3H), 7.76 (d, 1H), 7.94 (t, 1H), 8.42 (d, 1H), 9.84 (s, 1H).
61%	for 3h;Reflux;	6.2.2. Preparation of 3-Acetamidophthalic Anhydride A 1 L 3-necked round bottom flask was equipped with a mechanical stirrer, thermometer, and condenser and charged with 3-aminophthalic acid (108 g, 596 mmol) and acetic anhydride (550 mL). The reaction mixture was heated to reflux for 3 hours and cooled to ambient temperature and further to 0-5° C. for another 1 hour. The crystalline solid was collected by vacuum filtration and washed with ether. The solid product was dried in vacuo at ambient temperature to a constant weight, giving 75 g (61percent yield) of 3-acetamidopthalic anhydride as a white product. 1H-NMR (CDCl3) delta: 2.21 (s, 3H), 7.76 (d, 1H), 7.94 (t, 1H), 8.42 (d, 1H), 9.84 (s, 1H).
61%	for 3h;Reflux;	[0187] A I L 3 -necked round bottom flask was equipped with a mechanical stirrer, thermometer, and condenser and charged with 3-aminophthalic acid (108 g, 596 mmol) and acetic anhydride (550 mL). The reaction mixture was heated to reflux for 3 hours and cooled to ambient temperature and further to 0-5°C for another 1 hour. The crystalline solid was collected by vacuum filtration and washed with ether. The solid product was dried in vacuo at ambient temperature to a constant weight, giving 75 g (61percent yield) of 3-acetamidopthalic anhydride as a white product. 1H-NMR (CDC13) delta: 2.21 (s, 3H), 7.76 (d, 1H), 7.94 (t, 1H), 8.42 (d, 1H), 9.84 (s, 1H).
61%	for 3h;Reflux;	10215] A 1 L 3-necked round bottom flask was equipped with a mechanical stirrer, thermometer, and condenser and charged with 3-aminophthalic acid (108 g, 596 mmol) and acetic anhydride (550 mL). The reaction mixture was heated to reflux for 3 hours and cooled to about 25° C. and thrther to 0-5°C. for another 1 hout The crystalline solid was collected by vacuum filtration and washed with ethet The solid product was dried in vacuo at ambient temperature to a constant weight, giving 75 g (61percent yield) of 3-acetamidopthalic anhydride as a white product. ?H-NMR (CDC13) oe: 2.21 (s, 3H), 7.76 (d, 1H), 7.94 (t, 1H), 8.42 (d, 1H), 9.84 (s, 1H).
61%	for 3h;Reflux;	A mixture of 3-aminophthalic acid (108 g, 596 mmol) and acetic anhydride (550 mE) was charged into a 1 -L 3-necked round bottom flask equipped with a mechanical stirrer, a thermometer, and a condenser. The reaction mixture was refluxed for 3 hours, cooled to ambient temperature, and kept at 0-5° C. for another 1 hout The crystalline solid was collected by vacuum filtration and washed with ether. The solid product was dried in vacuum at ambient temperature to a constant weight toyield 75 g (61percent yield) of 3-acetamidopthalic anhydride as a white product. The product in CDC13 was characterized by a ?H NMR spectrum showing the following chemical shifts (oe in ppm): 2.21 (s, 3H), 7.76 (d, 1H), 7.94 (t, 1H), 8.42 (d, 1H), 9.84 (s, 1H).
	at 30 - 110℃;	A solution of 3-aminophthalic acid (100 g, 552 mmol) in acetic anhydride (300 mL) was heated to 110 °C. The reaction mass cooled to 25 - 30 °C while being stirred then further cooled to 10 °C. The crystalline solid obtained was collected by filtration and washed with hexane to yield <strong>[6296-53-3]3-acetamidophthalic anhydride</strong>.
728 g	Reflux;	The unbaked product obtained in Example 1 was transferred to a 5 L three-necked flask, acetic anhydride (4. 5 L) was added,Heated to reflux for 1-2 hours, filtered while hot, washed with glacial acetic acid and then cooled to 0-5 ° C,Stir until the product is fully precipitated, filtered, washed with acetic acid,827 g of yellow needle-like crystals, about 12percent solvent, 728 g after drying, 75percent in two steps, HPLC 99.8percent.
	at 25 - 140℃; for 2h;	3-Aminobenzene-1, 2-dicarboxylic acidor 3-Amino Phthalic acid (Formula-Ill) (150gm) into acetic anhydride (525m1) at 25-30°C. Raise temperature up to 130-140°C and maintain 2 hr. After completion of reaction gradually cool to ambient temperature. Stir reaction mass for 2 hr and cool up to 0-5°C (0-10°C). Filter the product and wash with methyl tert. butyl ether resulting Formula IV with 78.6percentyield and 99.49percent HPLC purity.

Reference： [1]Patent: CN105330587,2016,A.Location in patent: Paragraph 0035; 0036
[2]Patent: US2007/155791,2007,A1.Location in patent: Page/Page column 14
[3]Patent: WO2014/74846,2014,A1.Location in patent: Page/Page column 20; 21
[4]Patent: WO2014/151180,2014,A1.Location in patent: Paragraph 0073
[5]Patent: WO2015/175773,2015,A1.Location in patent: Paragraph 0112
[6]Patent: WO2016/25686,2016,A1.Location in patent: Paragraph 0095
[7]Patent: US9272035,2016,B2.Location in patent: Page/Page column 23
[8]Patent: WO2015/175956,2015,A1.Location in patent: Paragraph 0187
[9]Patent: US2016/128981,2016,A1.Location in patent: Paragraph 0215
[10]Patent: US9387195,2016,B2.Location in patent: Page/Page column 27
[11]Journal of the American Chemical Society,1909,vol. 31,p. 489
[12]Patent: WO2016/174685,2016,A1.Location in patent: Page/Page column 11
[13]Patent: CN105294534,2016,A.Location in patent: Paragraph 0028; 0029
[14]Patent: WO2018/203192,2018,A1.Location in patent: Page/Page column 12

5
[ 7446-70-0 ]
[ 6296-53-3 ]
[ 108-24-7 ]
[ 71-43-2 ]
7-amino-3,3-diphenyl-phthalide [ No CAS ]

Reference： [1]Journal of the American Chemical Society,1920,vol. 42,p. 1876

6
[ 7446-70-0 ]
[ 6296-53-3 ]
[ 108-24-7 ]
[ 71-43-2 ]
4-amino-3,3-diphenyl-phthalide [ No CAS ]

Reference： [1]Journal of the American Chemical Society,1920,vol. 42,p. 1876

7
[ 7647-01-0 ]
[ 6296-53-3 ]
[ 108-24-7 ]
[ 64-19-7 ]
zinc [ No CAS ]
[ 103260-67-9 ]
[ 103260-68-0 ]

Reference： [1]Annales Pharmaceutiques Francaises,1958,vol. 16,p. 421,425

8
[ 108-24-7 ]
zinc-acetat-<3-amino phthalate> [ No CAS ]
[ 6296-53-3 ]

Reference： [1]Chemische Berichte,1903,vol. 36,p. 2536

9
[ 108-24-7 ]
<3-amino-phthalic acid >-anhydride [ No CAS ]
[ 6296-53-3 ]

Reference： [1]Journal of the American Chemical Society,1909,vol. 31,p. 489

10
3-amino-phthalic acid-hydrochloride [ No CAS ]
[ 6296-53-3 ]

Reference： [1]Journal of the American Chemical Society,1947,vol. 69,p. 1909

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[ 65505-24-0 ]

Isobutyl 2-(methylamino)benzoate

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[ 85-91-6 ]

Methyl N-Methylanthranilate

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Esters

[ 301533-59-5 ]

Methyl 4-butyramido-3-methylbenzoate

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[ 35708-19-1 ]

2-Anilinobenzoic acid methyl ester

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[ 3814-10-6 ]

Methyl 4-(phenylcarbamoyl)benzoate

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Isobutyl 2-(methylamino)benzoate

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[ 85-91-6 ]

Methyl N-Methylanthranilate

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Amides

[ 301533-59-5 ]

Methyl 4-butyramido-3-methylbenzoate

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[ 3814-10-6 ]

Methyl 4-(phenylcarbamoyl)benzoate

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[ 37901-92-1 ]

4-Acetamido-3-methylbenzoic acid

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Methyl 2-oxoindoline-7-carboxylate

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Ethyl 1-formyl-4-oxo-4H-quinolizine-3-carboxylate

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Anhydrides

[ 10328-92-4 ]

1-Methyl-1H-benzo[d][1,3]oxazine-2,4-dione

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6-Methoxy-1H-benzo[d][1,3]oxazine-2,4-dione

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6,7-Dimethoxy-1H-benzo[d][1,3]oxazine-2,4-dione

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5-Bromo-1H-benzo[d][1,3]oxazine-2,4-dione

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3-Nitrophthalic anhydride

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Related Parent Nucleus of
[ 6296-53-3 ]

Benzofurans

[ 59434-19-4 ]

4-Aminophthalide

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5-Aminophthalide

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3-Nitrophthalic anhydride

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[ 29512-49-0 ]

6'-(Diethylamino)-3'-methyl-2'-(phenylamino)-3H-spiro[isobenzofuran-1,9'-xanthen]-3-one

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3,3-Bis(2-methyl-1-octyl-1H-indol-3-yl)isobenzofuran-1(3H)-one

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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.
P211	Do not spray on an open flame or other ignition source.
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
P231	Handle under inert gas.
P232	Protect from moisture.
P233	Keep container tightly closed.
P234	Keep only in original container.
P235	Keep cool
P240	Ground/bond container and receiving equipment.
P241	Use explosion-proof electrical/ventilating/lighting/equipment.
P242	Use only non-sparking tools.
P243	Take precautionary measures against static discharge.
P244	Keep reduction valves free from grease and oil.
P250	Do not subject to grinding/shock/friction.
P251	Pressurized container: Do not pierce or burn, even after use.
P260	Do not breathe dust/fume/gas/mist/vapours/spray.
P261	Avoid breathing dust/fume/gas/mist/vapours/spray.
P262	Do not get in eyes, on skin, or on clothing.
P263	Avoid contact during pregnancy/while nursing.
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.
P283	Wear fire/flame resistant/retardant clothing.
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:
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
{[ 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) ]}	{[ 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. 6296-53-3 ]

Quality Control of [ 6296-53-3 ]

Related Doc. of [ 6296-53-3 ]

Product Details of [ 6296-53-3 ]

Computed Properties of [ 6296-53-3 ]

Safety of [ 6296-53-3 ]

Application In Synthesis of [ 6296-53-3 ]

[ 6296-53-3 ] Synthesis Path-Upstream 1~6

[ 6296-53-3 ] Synthesis Path-Downstream 1~10

Pharmaceutical Intermediates of [ 6296-53-3 ]

Apremilast Intermediates

Related Functional Groups of [ 6296-53-3 ]

Amines

Esters

Amides

Anhydrides

Related Parent Nucleus of [ 6296-53-3 ]

Benzofurans

Precautionary Statements-General

Prevention

Response

Storage

Disposal

Physical hazards

Health hazards

Environmental hazards

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Pharmaceutical Intermediates of
[ 6296-53-3 ]

Related Functional Groups of
[ 6296-53-3 ]

Related Parent Nucleus of
[ 6296-53-3 ]