[ CAS No. 79286-79-6 ] {[proInfo.proName]}

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Quality Control of [ 79286-79-6 ]

COA NMR CNMR HPLC LC-MS

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SDS Specification

Alternatived Products of [ 79286-79-6 ]

Product Details of [ 79286-79-6 ]

CAS No. :	79286-79-6	MDL No. :	MFCD00059018
Formula :	C₄H₁₀N₂	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	-
M.W :	86.14	Pubchem ID :	-
Synonyms :

Safety of [ 79286-79-6 ]

Signal Word:	Danger	Class:	8
Precautionary Statements:	P280-P305+P351+P338-P310	UN#:	2735
Hazard Statements:	H314	Packing Group:	Ⅲ
GHS Pictogram:

Application In Synthesis of [ 79286-79-6 ]

* 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 [ 79286-79-6 ]
Downstream synthetic route of [ 79286-79-6 ]

[ 79286-79-6 ] Synthesis Path-Upstream 1~7

1
[ 24424-99-5 ]
[ 79286-79-6 ]
[ 99724-19-3 ]
[ 147081-44-5 ]

Yield	Reaction Conditions	Operation in experiment
81.7%	With potassium hydroxide In methanol at 15 - 20℃; for 1 h;	60 g of methanol and 8.6 g (0.1 mols) of (S)-3-aminopyrrolidine (Chemical purity 99.8 percent, optical purity 99.5 percent ee - hereinafter referred to as S-AP) were fed into a 200-ml 4-neck flask equipped with a stirrer, a pH sensor and two strapped dropping funnels, and stirred at 15 to 20°C. 21.8 g (0.1 mols) of di-tertiary butyl dicarbonate (by Tokyo Chemical) was fed into it via one dropping funnel, and 25 g (0.11 mols) of methanolic solution of 25 percent potassium hydroxide was thereinto via the other dropping funnel. With stirring at 15 to 20°C, di-tertiary butyl dicarbonate was dropwise added to the reaction system over a period of about 1 hour. During this, the methanolic solution of 25 percent potassium hydroxide was dropwise added thereto so as to make the reaction system have a pH of from 11.8 to 12.2. The reaction mixtures were analyzed for its composition, and it comprised 4 percent of the starting 3-aminopyrrolidine, 86.7 percent of the product, 3-amino-1-tertiary butoxycarbonylpyrrolidine (hereinafter referred to as 1-BocAP), and 8.4 percent of 1-tertiary butoxycarbonyl-3-tertiary butoxycarbonylaminopyrrolidine (hereinafter referred to as DiBocAP). After the reaction, the reaction mixtures were concentrated under reduced pressure to make 32 g. 100 g of toluene was added to the concentrated solution, and inorganic salts were precipitated with stirring. The precipitated crystals were filtered away, and the filtrate was distilled under reduced pressure to obtain a fraction at 120 to 125°C/0.7 kPa, (S)-3-amino-1-tertiary butoxycarbonylpyrrolidine. Its weight was 15.2 g, and its yield was 81.7 percent. (Chemical purity 99.1 percent; optical purity 99.5 percent ee. ) The positional isomer, 3-tertiary butoxycarbonylaminopyrrolidine was 0.4 percent.

Reference： [1] Patent: EP1460061, 2004, A1, . Location in patent: Page 5-6

2
[ 79286-79-6 ]
[ 79286-79-6 ]
[ 116183-82-5 ]

Reference： [1] Advanced Synthesis and Catalysis, 2008, vol. 350, # 6, p. 807 - 812

3
[ 24424-99-5 ]
[ 79286-79-6 ]
[ 122536-76-9 ]

Reference： [1] Bioorganic and Medicinal Chemistry Letters, 2013, vol. 23, # 1, p. 132 - 137

4
[ 24424-99-5 ]
[ 79286-79-6 ]
[ 99724-19-3 ]
[ 147081-44-5 ]

Yield	Reaction Conditions	Operation in experiment
81.7%	With potassium hydroxide In methanol at 15 - 20℃; for 1 h;	60 g of methanol and 8.6 g (0.1 mols) of (S)-3-aminopyrrolidine (Chemical purity 99.8 percent, optical purity 99.5 percent ee - hereinafter referred to as S-AP) were fed into a 200-ml 4-neck flask equipped with a stirrer, a pH sensor and two strapped dropping funnels, and stirred at 15 to 20°C. 21.8 g (0.1 mols) of di-tertiary butyl dicarbonate (by Tokyo Chemical) was fed into it via one dropping funnel, and 25 g (0.11 mols) of methanolic solution of 25 percent potassium hydroxide was thereinto via the other dropping funnel. With stirring at 15 to 20°C, di-tertiary butyl dicarbonate was dropwise added to the reaction system over a period of about 1 hour. During this, the methanolic solution of 25 percent potassium hydroxide was dropwise added thereto so as to make the reaction system have a pH of from 11.8 to 12.2. The reaction mixtures were analyzed for its composition, and it comprised 4 percent of the starting 3-aminopyrrolidine, 86.7 percent of the product, 3-amino-1-tertiary butoxycarbonylpyrrolidine (hereinafter referred to as 1-BocAP), and 8.4 percent of 1-tertiary butoxycarbonyl-3-tertiary butoxycarbonylaminopyrrolidine (hereinafter referred to as DiBocAP). After the reaction, the reaction mixtures were concentrated under reduced pressure to make 32 g. 100 g of toluene was added to the concentrated solution, and inorganic salts were precipitated with stirring. The precipitated crystals were filtered away, and the filtrate was distilled under reduced pressure to obtain a fraction at 120 to 125°C/0.7 kPa, (S)-3-amino-1-tertiary butoxycarbonylpyrrolidine. Its weight was 15.2 g, and its yield was 81.7 percent. (Chemical purity 99.1 percent; optical purity 99.5 percent ee. ) The positional isomer, 3-tertiary butoxycarbonylaminopyrrolidine was 0.4 percent.

Reference： [1] Patent: EP1460061, 2004, A1, . Location in patent: Page 5-6

5
[ 24424-99-5 ]
[ 79286-79-6 ]
[ 147081-44-5 ]

Reference： [1] Patent: US2007/219240, 2007, A1, . Location in patent: Page/Page column 23
[2] Bioorganic and Medicinal Chemistry Letters, 2013, vol. 23, # 1, p. 132 - 137

6
[ 24424-99-5 ]
[ 79286-79-6 ]
[ 186550-13-0 ]

Yield	Reaction Conditions	Operation in experiment
98%	at 20℃; for 1 h;	The starting materials were prepared as follows : 3RS-AMINO-PYRROLIDINE-1-CARBOXYLIC ACID TEFF-BUTYL ESTER To a solution of 3-aminopyrrolidine (0. 86 g, 10 MMOL) in CHCI3 (50 mi) at 0 C was added dropwise a solution of di-t-butyl dicarbonate ((BOC) 2O ; 2. 06 g, 10 MMOL) in CHCI3 (50 ML). The mixture stirred at room temperature for 1 hour, and then washed with brine, dried over K2CO3, filtered, and concentrated to give 1. 8 g of yellow oil in 98percent yield, which was used without further purification. 'H NMR : 8 3. 60-3. 28 (m, 4H), 3. 02 (m, 1 H), 2. 04 (m, 1 H), 1. 64 (m, 1 H), 1. 45 (s, 9H), 1. 45-1. 20 (m, 2H)

Reference： [1] Patent: WO2004/74283, 2004, A1, . Location in patent: Page 38
[2] Bioorganic and Medicinal Chemistry Letters, 2010, vol. 20, # 3, p. 1237 - 1240

7
[ 6627-89-0 ]
[ 79286-79-6 ]
[ 186550-13-0 ]

Yield	Reaction Conditions	Operation in experiment
98%	for 24 h;	Intermediate 138; 1 ,1 -dimethylethyl 3-amino-1 -pyrrolidinecarboxylate; 3-pyrrolidinamine (500 mg, 5.80 mmol), Tert-butyl phenyl carbonate (1.24 g, 6.38 mmol) was dissolved in DMF (5 ml) and stirred for 24 hours. Water and HCI 1 N was added until pH=3. The mixture was washed with dichloromethane (2 times). NaOH 1 N was added to the aqueous phase until pH=1 1-12 and was extracted with dichloromethane (4 times). The <n="94"/>organic phase was dried over Na₂SC>₄, filtered and evaporated to give the title compound as light orange liquid (1.063 g, 98percent). LC/MS : m/z 187 (M+23)+, Rt: 1.54 min.

Reference： [1] Patent: WO2009/47240, 2009, A1, . Location in patent: Page/Page column 92-93

[ 79286-79-6 ] Synthesis Path-Downstream 1~88

1
[ 130435-38-0 ]
[ 79286-79-6 ]
[ 130435-62-0 ]

Reference： [1]Journal of Medicinal Chemistry,1991,vol. 34,p. 29 - 37

2
7-Chloro-6-fluoro-1-(2-fluoro-1,1-dimethyl-ethyl)-4-oxo-1,4-dihydro-[1,8]naphthyridine-3-carboxylic acid ethyl ester [ No CAS ]
[ 79286-79-6 ]
[ 130435-91-5 ]

Reference： [1]Journal of Medicinal Chemistry,1991,vol. 34,p. 29 - 37

3
6,7-Difluoro-1-(2-fluoro-1-fluoromethyl-1-methyl-ethyl)-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid ethyl ester [ No CAS ]
[ 79286-79-6 ]
[ 130435-65-3 ]

Reference： [1]Journal of Medicinal Chemistry,1991,vol. 34,p. 29 - 37

4
7-Chloro-6-fluoro-1-(2-fluoro-1-fluoromethyl-1-methyl-ethyl)-4-oxo-1,4-dihydro-[1,8]naphthyridine-3-carboxylic acid ethyl ester [ No CAS ]
[ 79286-79-6 ]
[ 130435-94-8 ]

Reference： [1]Journal of Medicinal Chemistry,1991,vol. 34,p. 29 - 37

5
7-Chloro-6-fluoro-1-(2-fluoro-1,1-bis-fluoromethyl-ethyl)-4-oxo-1,4-dihydro-[1,8]naphthyridine-3-carboxylic acid ethyl ester [ No CAS ]
[ 79286-79-6 ]
[ 130435-97-1 ]

Reference： [1]Journal of Medicinal Chemistry,1991,vol. 34,p. 29 - 37

6
[ 79286-79-6 ]
7-Chloro-6-fluoro-1-(4-fluoro-phenyl)-5-methyl-4-oxo-1,4-dihydro-[1,8]naphthyridine-3-carboxylic acid ethyl ester [ No CAS ]
[ 132195-48-3 ]