[ CAS No. 39061-32-0 ] {[proInfo.proName]}

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COA NMR CNMR HPLC LC-MS

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SDS Specification

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Product Details of [ 39061-32-0 ]

CAS No. :	39061-32-0	MDL No. :	MFCD00491542
Formula :	C₁₂H₆ClNO₂	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	PFNUDUPCMCKPRD-UHFFFAOYSA-N
M.W :	231.63	Pubchem ID :	3648750
Synonyms :

Safety of [ 39061-32-0 ]

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P501-P270-P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330	UN#:	N/A
Hazard Statements:	H302-H315-H319	Packing Group:	N/A
GHS Pictogram:

Application In Synthesis of [ 39061-32-0 ]

* 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.

Downstream synthetic route of [ 39061-32-0 ]

[ 39061-32-0 ] Synthesis Path-Downstream 1~5

1
[ 4053-08-1 ]
[ 39061-32-0 ]

Yield	Reaction Conditions	Operation in experiment
91.12%	With ammonium hydroxide at 65℃; for 5h;	1 Example 4: 4-chloro-1,8-naphthalic anhydride (349mg, 1.5mmol)It was heated to reflux with ammonia water (40ml) at 65°C for 5 hours,After the reaction is over,The crude product containing the compound of formula (IX) is obtained by suction filtration under reduced pressure.The crude product is further separated by chromatographic column,Dichloromethane is the eluent,318 mg of pure compound of formula (IX) were obtained as pale yellow,The yield was 91.12%.
	With ammonia; lithium hydroxide monohydrate
	With formamide at 150℃; for 15h;	1 Example 1 Synthesis of Salt Represented by Formula (I-1) 20 parts of the compound represented by the formula (I-1-a) and 200 parts of the compound represented by the formula (I-1-b) were charged and stirred at 150 ° C. for 15 hours and then cooled to 23 ° C.500 parts of ion exchanged water was charged in the obtained reaction product, stirred, and filtered.The recovered filtrate was repulped with 100 parts of ethanol and then filtered to obtain 15.36 parts of a compound represented by the formula (I-1-c).

Reference： [1]Current Patent Assignee: UNIV JINAN - CN114249691, 2022, A Location in patent: Paragraph 0078-0084
[2]Karischin; Kustol [Zhurnal Obshchei Khimii, 1958, vol. 28, p. 692,693;engl.Ausg.S.673]
[3]Current Patent Assignee: SUMITOMO CHEMICAL COMPANY LIMITED; Sumitomo Chemical (w/o Dongwoo Fine-Chem) - JP2015/105240, 2015, A Location in patent: Paragraph 0155

2
[ 693-05-0 ]
[ 39061-32-0 ]
[ 89393-98-6 ]

Reference： [1]Journal of Organic Chemistry USSR (English Translation),1983,p. 2273 - 2281
Zhurnal Organicheskoi Khimii,1983,vol. 19,p. 2591 - 2600
[2]Journal of Organic Chemistry USSR (English Translation),1983,p. 2273 - 2281
Zhurnal Organicheskoi Khimii,1983,vol. 19,p. 2591 - 2600

3
[ 39061-32-0 ]
[ 109-73-9 ]
[ 4559-18-6 ]

Reference： [1]Chemistry - A European Journal,1998,vol. 4,p. 1810 - 1815

4
[ 2508-29-4 ]
[ 39061-32-0 ]
[ 4559-18-6 ]
[ 330649-49-5 ]

Yield	Reaction Conditions	Operation in experiment
48%	In ethanol;	N-(5'-Hydroxypentyl)-4-chloronaphthalene-1,8-dicarboximide (1bx): The procedure was analogous to 1ax. The reaction of 5-aminopentanol (5.15 g, 49.9 mmol) with 4-chloronaphthalene-1,8-dicarboximide (11.6 g, 49.9 mmol) in refluxing ethanol, followed by recrystallization from refluxing THF gave 1bx as a brownish-yellow powder (7.67 g, 48%). 1H NMR: delta 8.66 (d, 1H,J=7.6 Hz), 8.59 (d, 1H,J=8.3 Hz), 8.49 (d, 1H,J=8.0 Hz), 7.85 (t, 1H,J=7.9 Hz), 7.82 (d, 1H,J=8.0 Hz), 4.19 (t, 2H,J=7.5 Hz), 3.68 (t, 2H,J=6.4 Hz), 1.78 (m, 2H), 1.67 (m, 2H), 1.60 (br s, 1H), 1.51 (m, 2H). 13C{1H} NMR: delta 164.0, 163.7, 139.3, 132.2, 131.4, 130.9, 129.5, 129.3, 128.1, 127.6, 123.3, 121.8, 63.0, 40.6, 32.6, 28.0, 23.5. ESI/MS m/z 318 (M+H)+.
48%	In ethanol;	N-(5'-Hydroxypentyl)-4-chloronaphthalene-1,8-dicarboximide (1bx): The procedure was analogous to 1ax. The reaction of 5-aminopentanol (5.15 g, 49.9 mmol) with 4-chloronaphthalene-1,8-dicarboximide (11.6 g, 49.9 mmol) in refluxing ethanol, followed by recrystallization from refluxing THF gave 1bx as a brownish-yellow powder (7.67 g, 48%). 1H NMR: delta8.66 (d, 1H, J=7.6 Hz), 8.59 (d, 1H, J=8.3 Hz), 8.49 (d, 1H, J=8.0 Hz), 7.85 (t, 1H, J=7.9 Hz), 7.82 (d, 1H, J=8.0 Hz), 4.19 (t, 2H, J=7.5 Hz), 3.68 (t, 2H, J=6.4 Hz), 1.78 (m, 2H), 1.67 (m, 2H), 1.60 (br s, 1H), 1.51 (m, 2H). 13C{1H} NMR: delta164.0, 163.7, 139.3, 132.2, 131.4, 130.9, 129.5, 129.3, 128.1, 127.6, 123.3, 121.8, 63.0, 40.6, 32.6, 28.0, 23.5. ESI/MS m/z 318 (M+H)+.

Reference： [1]Patent: US2002/10279,2002,A1
[2]Patent: US6673625,2004,B2

5
[ 39061-32-0 ]
[ 4559-18-6 ]

Yield	Reaction Conditions	Operation in experiment
76%	With N-butylamine; In toluene;	N-n-Butyl-4-chloronaphthalene-1,8-dicarboximide (1ax): This compound has been reported previously. This preparation is similar to previously reports (see e.g. Daffy et al. Chem-Eur J 1998, 4, 1810-1815; de Silva et al., Chem Rev 1997, 97, 1515-1566). A portion of n-butylamine (5.00 mL, 50.6 mmol) was added to a suspension of 4-chloronaphthalene-1,8-dicarboximide (11.7 g, 50.5 mol) in 160 mL of toluene. This mixture was brought to reflux for 17 hours to give a dark black-brown solution. Crystallization from hexanes/toluene at -10 C. gave 1ax as a pure brownish-yellow powder (11.1 g, 76%). 1H NMR: delta=8.65 (d, 1H,J=7.4 Hz), 8.58 (d, 1H,J=8.6 Hz), 8.49 (d, 1H,J=7.9 Hz), 7.85 (t, 1H,J=7.9 Hz), 7.81 (d, 1H,J=7.9 Hz), 4.18 (t, 2H,J=7.6 Hz), 1.72 (m, 2H), 1.45 (m, 2H), 0.98 (t, 2H,J=7.4 Hz). 13C{1H} NMR: delta=163.8, 163.5, 139.0, 132.0, 131.2, 130.6, 129.3, 129.1, 127.9, 127.5, 123.2, 121.7, 40.5, 30.3, 20.5, 14.0. ESI/MS m/z.
76%	With N-butylamine; In toluene;	N-n-Butyl-4-chloronaphthalene-1,8-dicarboximide (1ax): This compound has been reported previously. This preparation is similar to previously reports (see e.g. Daffy et al. Chem-Eur J 1998, 4, 1810-1815; de Silva et al., Chem Rev 1997, 97, 1515-1566). A portion of n-butylamine (5.00 mL, 50.6 mmol) was added to a suspension of 4-chloronaphthalene-1,8-dicarboximide (11.7 g, 50.5 mol) in 160 mL of toluene. This mixture was brought to reflux for 17 hours to give a dark black-brown solution. Crystallization from hexanes/toluene at -10 C. gave 1ax as a pure brownish-yellow powder (11.1 g, 76%). 1H NMR: delta=8.65 (d, 1H, J=7.4 Hz), 8.58 (d, 1H, J=8.6 Hz), 8.49 (d, 1H, J=7.9 Hz), 7.85 (t, 1H, J=7.9 Hz), 7.81 (d, 1H, J=7.9 Hz), 4.18 (t, 2H, J=7.6 Hz), 1.72 (m, 2H), 1.45 (m, 2H), 0.98 (t, 2H, J=7.4 Hz). 13C{1H} NMR: delta=163.8, 163.5, 139.0, 132.0, 131.2, 130.6, 129.3, 129.1, 127.9, 127.5, 123.2, 121.7, 40.5, 30.3, 20.5, 14.0. ESI/MS m/z.

Reference： [1]Patent: US2002/10279,2002,A1
[2]Patent: US6673625,2004,B2

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[ CAS No. 39061-32-0 ] {[proInfo.proName]}

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[ 39061-32-0 ] Synthesis Path-Downstream 1~5

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