[ CAS No. 39061-59-1 ] {[proInfo.proName]}

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Quality Control of [ 39061-59-1 ]

COA NMR CNMR HPLC LC-MS

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SDS Specification

Alternatived Products of [ 39061-59-1 ]

Product Details of [ 39061-59-1 ]

CAS No. :	39061-59-1	MDL No. :	MFCD03788742
Formula :	C₆H₉ClO₃	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	-
M.W :	164.59	Pubchem ID :	-
Synonyms :

Safety of [ 39061-59-1 ]

Signal Word:	Danger	Class:	8,6.1
Precautionary Statements:	P260-P264-P271-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P310-P363-P403+P233-P405-P501	UN#:	2922
Hazard Statements:	H331-H314	Packing Group:	Ⅱ
GHS Pictogram:

Application In Synthesis of [ 39061-59-1 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

Downstream synthetic route of [ 39061-59-1 ]

[ 39061-59-1 ] Synthesis Path-Downstream 1~14

1
[ 39061-59-1 ]
[ 1738-82-5 ]
[ 446235-34-3 ]

Yield	Reaction Conditions	Operation in experiment
	With N-ethyl-N,N-diisopropylamine In <i>tert</i>-butyl alcohol

Reference： [1]Okarvi; Torfs; Adriaens; Verbruggen [Journal of labelled compounds and radiopharmaceuticals, 2002, vol. 45, # 5, p. 407 - 421]

2
[ 402925-10-4 ]
[ 39061-59-1 ]
[ 28547-28-6 ]
[ 402925-11-5 ]

Yield	Reaction Conditions	Operation in experiment
	With dmap; N-ethyl-N,N-diisopropylamine; In dichloromethane;	Example 56G 2-(tert-butoxyoxalyl-{4-[2-methoxycarbonylamino-2-(2-trimethylsilanyl-ethoxycarbonyl)-ethyl]-naphthalen-1-yl}-amino)-benzoic Acid To a mixture of 2-{4-[2-methoxycarbonylamino-2-(2-trimethylsilanyl-ethoxycarbonyl)-ethyl]-naphthalen-1-ylamino}-benzoic acid (0.7 g, 1.38 mmol) and diisopropylethylamine (0.57 mL) in methylene chloride (8 mL) at 0 C. was slowly added tert-butyl oxalyl chloride (538 mg, 3.61 mmol, 2.6 eq). The reaction was allowed to warm to room temperature over 1 hour and 4-(dimethylamino)pyridine (10 mg, 0.08 mmol, 0.06 eq) was added. The reaction was stirred for 14 hours, acidified to a pH <3with 1N HCl, extracted with ethyl acetate (330 mL). The organic layer was washed with 1N HCl (230 mL), water (120 mL), and brine (120 mL), dried (MgSO4), filtered and concentrated. The residue was purified on silica gel eluding with toluene/ethyl acetate (10:1) to provide the titled product. MS (APCI(+)) m/e 637 (M+H)+

Reference： [1]Patent: US2002/35137,2002,A1

3
[ 39061-59-1 ]
[ 35661-51-9 ]
[ 947528-35-0 ]

Yield	Reaction Conditions	Operation in experiment
62%	With N-ethyl-N,N-diisopropylamine; In dichloromethane; at 0 - 20℃; for 0.25h;	To a mixture of Fmoc-hydrazine (0.100 mg, 0.39 mmol), DIPEA (0.08 mL, 0.43 mmol) and methylenechloride (10 mL) was added t-Bu-oxalylchloride (0.06 mL, 0.39) slowly with stirring and ice-bath cooling under argon. The reaction mixture was stirred further at room temperature for 15 mins. The reaction mixture was then washed with 1N HCL (5 mL), followed by 10percent NaHCO3 (5 mL) and brine (5 mL), dried (Na2SO4) and concentrated to give 140 mg of crude compound which was purified by column chromatography to give 94 mg (62percent) of pure product as white solid; mp. 79-80°C. Rf = 0.45 (2:1 Pentane/EtOAc) 1H NMR (200 MHz, CDCl3) delta (ppm) 8.94 (br s, 1H), 7.75 (d, J = 7.42 Hz, 2H), 7.58 (d, J = 7.24 Hz, 2H), 7.26-7.43 (m, 5H), 4.44 (d, J = 7.22 Hz, 2H), 4.23 (t, J = 7.14 Hz, 1H), 1.57 (m, 12H). 13C NMR (200 MHz, CDCl3) delta(ppm) 157.78, 156.38, 155.51, 143.33, 141.25, 127.84, 127.16, 125.1, 120.01, 85.69, 68.3, 46.79, 27.70.

Reference： [1]Patent: EP1826199,2007,A1 .Location in patent: Page/Page column 40

4
[ 561297-96-9 ]
[ 39061-59-1 ]
tert-butyl N-((5-fluoro-pyridin-2-yl)methyl)oxamate [ No CAS ]

Reference： [1]Organic and Biomolecular Chemistry,2015,vol. 13,p. 4101 - 4114

5
[ 561297-96-9 ]
[ 39061-59-1 ]
tert-butyl N-((5-fluoro-1-oxy-pyridin-2-yl)methyl)oxamate [ No CAS ]

Reference： [1]Organic and Biomolecular Chemistry,2015,vol. 13,p. 4101 - 4114

6
[ 50624-94-7 ]
[ 39061-59-1 ]

Reference： [1]Chemistry - An Asian Journal,2018,vol. 13,p. 2842 - 2846

7
[ 39061-59-1 ]
[ 77215-55-5 ]
(S)-tert-butyl 2-(((benzyloxy)carbonyl)amino)-3-(2-(tert-butoxy)-2-oxoacetamido)propanoate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
77%	With triethylamine; In dichloromethane; at 20℃; for 6.0h;Cooling with ice;	In a 100 mL round bottom flask,Compound 3 (1 g, 3.40 mmol) was dissolved in anhydrous dichloromethane (20 mL).Add triethylamine (1.38 g, 13.61 mmol),Compound 2 (1.29 g, 7.88 mmol) was added with stirring in an ice bath.a crude solution of dichloromethane (15 mL),React at room temperature for 6 hours,The solvent was removed under reduced pressure.The residue was purified by silica gel flash chromatography.The mobile phase is ethyl acetate:N-hexane = 0% to 50% (v/v),Yield 4 (1.1 g, yield 77%),Colorless oil.

Reference： [1]Patent: CN109748896,2019,A .Location in patent: Paragraph 0082; 0086; 0087; 0088

8
[ 3587-64-2 ]
[ 39061-59-1 ]
tert-butyl (1-methoxy-2-methylpropan-2-yl) oxalate [ No CAS ]