[ CAS No. 7211-57-6 ] {[proInfo.proName]}

Name: 7211-57-6|Ac-DL-Abu-OH|98%
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SKU: A281490
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2D 3D

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Quality Control of [ 7211-57-6 ]

COA NMR CNMR HPLC LC-MS

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SDS Specification

Alternatived Products of [ 7211-57-6 ]

Product Details of [ 7211-57-6 ]

CAS No. :	7211-57-6	MDL No. :	MFCD00020430
Formula :	C₆H₁₁NO₃	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	WZVZUKROCHDMDT-UHFFFAOYSA-N
M.W :	145.16	Pubchem ID :	306107
Synonyms :

Calculated chemistry of [ 7211-57-6 ]

Physicochemical Properties

Num. heavy atoms :	10
Num. arom. heavy atoms :	0
Fraction Csp3 :	0.67
Num. rotatable bonds :	4
Num. H-bond acceptors :	3.0
Num. H-bond donors :	2.0
Molar Refractivity :	35.73
TPSA :	66.4 Å²

Pharmacokinetics

GI absorption :	High
BBB permeant :	No
P-gp substrate :	No
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-7.54 cm/s

Lipophilicity

Log Po/w (iLOGP) :	1.09
Log Po/w (XLOGP3) :	-0.5
Log Po/w (WLOGP) :	-0.01
Log Po/w (MLOGP) :	-0.16
Log Po/w (SILICOS-IT) :	-0.26
Consensus Log Po/w :	0.03

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	1.0
Bioavailability Score :	0.56

Water Solubility

Log S (ESOL) :	-0.16
Solubility :	100.0 mg/ml ; 0.69 mol/l
Class :	Very soluble
Log S (Ali) :	-0.43
Solubility :	54.3 mg/ml ; 0.374 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	-0.46
Solubility :	50.4 mg/ml ; 0.348 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.48

Safety of [ 7211-57-6 ]

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 [ 7211-57-6 ]

* 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 [ 7211-57-6 ]
Downstream synthetic route of [ 7211-57-6 ]

[ 7211-57-6 ] Synthesis Path-Upstream 1~12

1
[ 108-24-7 ]
[ 2835-81-6 ]
[ 7211-57-6 ]

Yield	Reaction Conditions	Operation in experiment
95.9%	at 100℃; for 2 h;	Example 1A; 2- (Acetylamino) butanoic acid; 163 g (1. 58 mol) 2-Aminobutanoic acid are dissolved in acetic acid, and 242 g (2.37 mol) acetic anhydride are added dropwise. The mixture is stirred for 2 h at 100°C until completion of reaction, then the solution is evaporated to dryness in vacuo. The solid residue is suspended in ethyl acetate, filtered and washed with diethyl ether. Yield: 220 g (95.9percent) IH-NMR (Methanol-d4): o/ppm 0.97 (t, 3 H), 1.65-1. 93 (m, 2 H), 1.99 (s, 3 H), 4.29 (q, 1 H) ppm.
95.9%	at 100℃; for 2 h;	Example 1A; 2- (Acetylamino) butanoic acid; 163 g (1. 58 mol) 2-Aminobutanoic acid are dissolved in acetic acid, and 242 g (2.37 mol) acetic anhydride are added dropwise. The mixture is stirred for 2 h at 100°C until completion of reaction, then the solution is evaporated to dryness in vacuo. The solid residue is suspended in ethyl acetate, filtered and washed with diethyl ether. Yield: 220 g (95.9percent) IH-NMR (CD30D) : 6 = 0.97 (t, 3H), 1.65-1. 93 (m, 2H), 1.99 (s, 3H), 4.29 (q, 1H) ppm.
95.9%	at 100℃; for 2 h;	163 g (1. 58mol) 2-aminobutanoic acid are dissolved in acetic acid, and 242 g (2.37 mol) acetic anhydride are added dropwise. The mixture is stirred for 2 h at 100°C until completion of reaction, then the solution is evaporated to dryness in vacuo. The solid residue is suspended in ethyl acetate, filtered and washed with diethyl ether. Yield: 220 g (95.9percent) 1H-NMR (Methanol-d4) : 8 = 0.97 (t, 3H), 1.65-1. 93 (m, 2H), 1.99 (s, 3H), 4.29 (q, 1H) ppm.

Reference： [1] Patent: WO2003/93268, 2003, A1, . Location in patent: Page/Page column 25
[2] Patent: WO2003/93270, 2003, A1, . Location in patent: Page/Page column 21
[3] Patent: WO2003/97645, 2003, A1, . Location in patent: Page/Page column 26
[4] Biochemical Journal, 1939, vol. 33, p. 1915
[5] Journal of Physical Chemistry, 1984, vol. 88, # 1, p. 86 - 92
[6] Tetrahedron Asymmetry, 2004, vol. 15, # 12, p. 1933 - 1936

2
[ 60-35-5 ]
[ 201230-82-2 ]
[ 107-18-6 ]
[ 7211-57-6 ]

Reference： [1] Tetrahedron Letters, 1982, vol. 23, # 24, p. 2491 - 2494
[2] Journal of Organometallic Chemistry, 1985, vol. 279, p. 203 - 214

3
[ 692-33-1 ]
[ 7211-57-6 ]

Reference： [1] Tetrahedron Letters, 1987, vol. 28, # 25, p. 2829 - 2832

4
[ 60-35-5 ]
[ 123-38-6 ]
[ 7211-57-6 ]

Reference： [1] Tetrahedron Letters, 1987, vol. 28, # 25, p. 2829 - 2832

5
[ 2835-81-6 ]
[ 7211-57-6 ]

Yield	Reaction Conditions	Operation in experiment
96%	With acetic anhydride In acetic acid; ethyl acetate	EXAMPLE 1A 2-(Acetylamino)butanoic Acid 163 g (1,58 mol) 2-aminobutanoic acid are dissolved in acetic acid, and 242 g (2,37 mol) acetic anhydride are added dropwise. The mixture is stirred for 2 h at 100° C. until completion of reaction, then the solution evaporated to dryness in vacuo. The solid residue is suspended in ethyl acetate, filtered and washed with diethyl ether. Yield: 220 g (96percent) ¹H-NMR (Methanol-d₄): δ=0,97 (t, 3H), 1,65-1,93 (m, 2H), 1,99 (s, 3H), 4,29 (q, 1H) ppm.

Reference： [1] Patent: US2003/139415, 2003, A1,
[2] Patent: US2002/198377, 2002, A1,

6
[ 60-35-5 ]
[ 201230-82-2 ]
[ 75-56-9 ]
[ 7211-57-6 ]

Reference： [1] Journal of Organometallic Chemistry, 1985, vol. 279, p. 203 - 214

7
[ 692-33-1 ]
[ 7211-57-6 ]
[ 13862-98-1 ]

Reference： [1] Tetrahedron Letters, 1987, vol. 28, # 25, p. 2829 - 2832

8
[ 60-35-5 ]
[ 201230-82-2 ]
[ 123-38-6 ]
[ 7211-57-6 ]

Reference： [1] Chemistry Letters, 2008, vol. 37, # 12, p. 1292 - 1293

9
[ 60-35-5 ]
[ 201230-82-2 ]
[ 123-38-6 ]
[ 7211-57-6 ]
[ 7073-48-5 ]
[ 65693-79-0 ]
[ 623-36-9 ]

Reference： [1] Advanced Synthesis and Catalysis, 2003, vol. 345, # 4, p. 510 - 516

10
[ 64-19-7 ]
[ 2835-81-6 ]
[ 7211-57-6 ]

Reference： [1] Journal of the Chemical Society, 1958, p. 2423

11
[ 7211-57-6 ]
[ 1492-24-6 ]
[ 34271-27-7 ]

Reference： [1] Journal of the American Chemical Society, 1989, vol. 111, # 16, p. 6354 - 6364
[2] Journal of the American Chemical Society, 1989, vol. 111, # 16, p. 6354 - 6364
[3] Journal of the American Chemical Society, 1989, vol. 111, # 16, p. 6354 - 6364

12
[ 7211-57-6 ]
[ 34271-27-7 ]

Reference： [1] Journal of Organic Chemistry, 1987, vol. 52, # 12, p. 2608 - 2611
[2] Tetrahedron Asymmetry, 1997, vol. 8, # 19, p. 3197 - 3200

[ 7211-57-6 ] Synthesis Path-Downstream 1~40

1
[ 108-24-7 ]
[ 2835-81-6 ]
[ 7211-57-6 ]

Yield	Reaction Conditions	Operation in experiment
95.9%	With acetic acid; at 100℃; for 2.0h;	Example 1A; 2- (Acetylamino) butanoic acid; 163 g (1. 58 mol) 2-Aminobutanoic acid are dissolved in acetic acid, and 242 g (2.37 mol) acetic anhydride are added dropwise. The mixture is stirred for 2 h at 100C until completion of reaction, then the solution is evaporated to dryness in vacuo. The solid residue is suspended in ethyl acetate, filtered and washed with diethyl ether. Yield: 220 g (95.9%) IH-NMR (Methanol-d4): o/ppm 0.97 (t, 3 H), 1.65-1. 93 (m, 2 H), 1.99 (s, 3 H), 4.29 (q, 1 H) ppm.
95.9%	With acetic acid; at 100℃; for 2.0h;	Example 1A; 2- (Acetylamino) butanoic acid; 163 g (1. 58 mol) 2-Aminobutanoic acid are dissolved in acetic acid, and 242 g (2.37 mol) acetic anhydride are added dropwise. The mixture is stirred for 2 h at 100C until completion of reaction, then the solution is evaporated to dryness in vacuo. The solid residue is suspended in ethyl acetate, filtered and washed with diethyl ether. Yield: 220 g (95.9%) IH-NMR (CD30D) : 6 = 0.97 (t, 3H), 1.65-1. 93 (m, 2H), 1.99 (s, 3H), 4.29 (q, 1H) ppm.
95.9%	In acetic acid; at 100℃; for 2.0h;	163 g (1. 58mol) 2-aminobutanoic acid are dissolved in acetic acid, and 242 g (2.37 mol) acetic anhydride are added dropwise. The mixture is stirred for 2 h at 100C until completion of reaction, then the solution is evaporated to dryness in vacuo. The solid residue is suspended in ethyl acetate, filtered and washed with diethyl ether. Yield: 220 g (95.9%) 1H-NMR (Methanol-d4) : 8 = 0.97 (t, 3H), 1.65-1. 93 (m, 2H), 1.99 (s, 3H), 4.29 (q, 1H) ppm.

Reference： [1]Patent: WO2003/93268,2003,A1 .Location in patent: Page/Page column 25
[2]Patent: WO2003/93270,2003,A1 .Location in patent: Page/Page column 21
[3]Patent: WO2003/97645,2003,A1 .Location in patent: Page/Page column 26
[4]Biochemical Journal,1939,vol. 33,p. 1915
[5]Journal of Physical Chemistry,1984,vol. 88,p. 86 - 92
[6]Tetrahedron Asymmetry,2004,vol. 15,p. 1933 - 1936

2
[ 64-19-7 ]
[ 2835-81-6 ]
[ 7211-57-6 ]

Reference： [1]Journal of the Chemical Society,1958,p. 2423

3
[ 107-10-8 ]
[ 7211-57-6 ]
[ 67864-97-5 ]

Reference： [1]Bulletin of the Academy of Sciences of the USSR Division of Chemical Science,1978,vol. 27,p. 963 - 969
Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya,1978,vol. 27,p. 1111 - 1118

4
[ 7211-57-6 ]
[ 3240-34-4 ]
[ 57357-44-5 ]

Reference： [1]Journal of Organic Chemistry USSR (English Translation),1975,vol. 11,p. 1246 - 1249
Zhurnal Organicheskoi Khimii,1975,vol. 11,p. 1259 - 1262

5
[ 7211-57-6 ]
[ 122-39-4 ]
[ 66927-32-0 ]

Reference： [1]Bulletin of the Academy of Sciences of the USSR Division of Chemical Science,1978,vol. 27,p. 773 - 777
Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya,1978,vol. 27,p. 894 - 898

6
[ 7211-57-6 ]
[ 122-39-4 ]
[ 66927-25-1 ]

Reference： [1]Bulletin of the Academy of Sciences of the USSR Division of Chemical Science,1978,vol. 27,p. 773 - 777
Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya,1978,vol. 27,p. 894 - 898

7
[ 7211-57-6 ]
[ 74-89-5 ]
[ 67864-98-6 ]

8
[ 7211-57-6 ]
[ 100-61-8 ]
[ 66927-31-9 ]

Reference： [1]Bulletin of the Academy of Sciences of the USSR Division of Chemical Science,1978,vol. 27,p. 773 - 777
Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya,1978,vol. 27,p. 894 - 898

9
[ 50-00-0 ]
[ 7211-57-6 ]
[ 94664-19-4 ]

Reference： [1]Journal of general chemistry of the USSR,1989,vol. 59,p. 959 - 971
Zhurnal Obshchei Khimii,1989,vol. 59,p. 1084 - 1099

10
[ 692-33-1 ]
[ 7211-57-6 ]

Reference： [1]Tetrahedron Letters,1987,vol. 28,p. 2829 - 2832

11
[ 692-33-1 ]
[ 7211-57-6 ]
[ 13862-98-1 ]

Reference： [1]Tetrahedron Letters,1987,vol. 28,p. 2829 - 2832

12
[ 7211-57-6 ]
[ 1492-24-6 ]

Reference： [1]Journal of Organic Chemistry,1987,vol. 52,p. 2608 - 2611
[2]Tetrahedron Asymmetry,1997,vol. 8,p. 3197 - 3200
[3]Tetrahedron Asymmetry,2004,vol. 15,p. 1933 - 1936

13
[ 7211-57-6 ]
[ 34271-27-7 ]

Reference： [1]Journal of Organic Chemistry,1987,vol. 52,p. 2608 - 2611

14
[ 7211-57-6 ]
[ 114285-09-5 ]

Reference： [1]Tetrahedron Letters,1987,vol. 28,p. 2747 - 2750

15
[ 7211-57-6 ]
[ 1492-24-6 ]
[ 34271-27-7 ]

Reference： [1]Journal of the American Chemical Society,1989,vol. 111,p. 6354 - 6364
[2]Journal of the American Chemical Society,1989,vol. 111,p. 6354 - 6364
[3]Journal of the American Chemical Society,1989,vol. 111,p. 6354 - 6364

16
[ 7211-57-6 ]
[ 83-07-8 ]
[ 81217-06-3 ]

Reference： [1]Pharmaceutical Chemistry Journal,1982,vol. 16,p. 51 - 54
Khimiko-Farmatsevticheskii Zhurnal,1982,vol. 16,p. 61 - 65

17
[ 60-35-5 ]
[ 123-38-6 ]
[ 7211-57-6 ]

Reference： [1]Tetrahedron Letters,1987,vol. 28,p. 2829 - 2832

18
[ 60-35-5 ]
[ 201230-82-2 ]
[ 107-18-6 ]
[ 7211-57-6 ]

Reference： [1]Tetrahedron Letters,1982,vol. 23,p. 2491 - 2494
[2]Journal of Organometallic Chemistry,1985,vol. 279,p. 203 - 214

19
[ 7211-57-6 ]
N-acetyl-L-2-aminobutyric acid [ No CAS ]

Reference： [1]Bulletin of the Chemical Society of Japan,1987,vol. 60,p. 947 - 952

20
[ 7211-57-6 ]
N-acetyl-D-2-aminobutyric acid [ No CAS ]

Reference： [1]Bulletin of the Chemical Society of Japan,1987,vol. 60,p. 947 - 952

21
[ 60-35-5 ]
[ 201230-82-2 ]
[ 75-56-9 ]
[ 7211-57-6 ]

Reference： [1]Journal of Organometallic Chemistry,1985,vol. 279,p. 203 - 214

Yield	Reaction Conditions	Operation in experiment
		EXAMPLE 10 A 100 ml stainless steel autoclave was charged with 1.74 g (30 millimoles) of propylene oxide, 3.54 g (60 millimoles) of acetamide, 341 mg (1.0 millimole) of dicobalt octacarbonyl and 568 mg (2.0 millimoles) of titanium tetraisopropoxide as catalysts, and 50 ml of tetrehydrofuran as a solvent, and the mixture was stirred at 110 C. for 12 hours under a carbon monoxide pressure of 50 atmospheres and a hydrogen pressure of 50 atmospheres. After cooling, the pressure of the autoclave was returned to normal atmospheric pressure, and the resulting solution was worked up in the same way as in Example 9 to give 0.80 g (yield 18%) of N-acetyl-alpha-aminobutyric acid having a melting point of 128 to 130 C. as white crystals. The structure of the product was determined from its NMR and infrared absorption spectra.

23
[ 60-35-5 ]
[ 123-38-6 ]
Co₂(CO)8 [ No CAS ]
[ 7211-57-6 ]

Reference： [1]Journal of the Chemical Society, Section D: Chemical Communications,1971,p. 1540

24
[ 2835-81-6 ]
usual acetylating agent [ No CAS ]
[ 7211-57-6 ]

Reference： [1]Bulletin of the Chemical Society of Japan,1987,vol. 60,p. 947 - 952

25
[ 7211-57-6 ]
2-acetylamino-butyryl chloride [ No CAS ]

Reference： [1]Journal of the American Chemical Society,2002,vol. 124,p. 396 - 403

26
[ 7211-57-6 ]
[ 543-27-1 ]
C₁₁H₁₉NO₅ [ No CAS ]

Reference： [1]Journal of Medicinal Chemistry,2002,vol. 45,p. 2811 - 2823

27
[ 60-35-5 ]
[ 201230-82-2 ]
[ 123-38-6 ]
[ 7211-57-6 ]
[ 7073-48-5 ]
[ 65693-79-0 ]
[ 623-36-9 ]

Reference： [1]Advanced Synthesis and Catalysis,2003,vol. 345,p. 510 - 516

28
[ 7211-57-6 ]
2-acetylamino-<i>N</i>-benzyl-butyramide [ No CAS ]

Reference： [1]Journal of Medicinal Chemistry,2002,vol. 45,p. 2811 - 2823

29
[ 7211-57-6 ]
N-[1-(4-methylbenzoyl)propyl]acetamide [ No CAS ]

Reference： [1]Journal of the American Chemical Society,2002,vol. 124,p. 396 - 403

30
[ 7211-57-6 ]
[ 4755-77-5 ]
[ 477902-55-9 ]

Yield	Reaction Conditions	Operation in experiment
	With pyridine; In tetrahydrofuran; (2S)-N-methyl-1-phenylpropan-2-amine hydrate; ethanol;	EXAMPLE 2A Ethyl 3-(acetylamino)-2-oxopentanoate 9,2 g (63,4 mmol) 2-(Acetylamino)butanoic acid are suspended in 120 ml tetra-hydrofurane and heated to reflux together with 15,0 g (190 mmol) pyridine and a bit of N,N-dimethylaminopyridine. While heating at reflux, 17,3 g (127 mmol) ethyl chloro(oxo)acetate are added dropwise. The reaction mixture is heated at reflux until no more evolution of gas can be observed. After cooling down to room temperature, the reaction mixture is added to ice water and the organic phase extracted with ethyl acetate. The dried organic phase is evaporated to dryness in vacuo, dissolved in ethanol and the solution directly used for the next reaction.
	With pyridine; dmap; In tetrahydrofuran;Heating / reflux;	Example 2A; Ethyl 3- (acetylamino)-2-oxop entano ate; 9.2 g (63.4 mmol) 2- (Acetylamino) butanoic acid are suspended in 120 ml tetra- hydrofuran and heated to reflux together with 15.0 g (190 mmol) pyridine and a bit of N, N-dimethylaminopyridine. While heating at reflux, 17. 3 g (127 mmol) ethyl chloro (oxo) acetate are added dropwise. The reaction mixture is heated at reflux until no more evolution of gas can be observed.. After cooling down to room temperature, the reaction mixture is added to ice water and the organic phase extracted with ethyl acetate. The dried organic phase is evaporated to dryness in vacuo, dissolved in ethanol and the solution directly used for the next reaction.
	With pyridine; dmap; In tetrahydrofuran;Heating / reflux;	Example 2A; Ethyl 3-(acetylamino)-2-oxopentanoate; 9.2 g (63.4 mmol) 2-(Acetylamino) butanoic acid are suspended in 120 ml tetrahydro- furan and heated to reflux together with 15. 0 g (190 mmol) pyridine and a bit of N, N- dimethylaminopyridine. While heating at reflux, 17.3 g (127 mmol) ethyl chloro- (oxo) acetate are added dropwise. The reaction mixture is heated at reflux until no more evolution of gas can be observed. After cooling down to room temperature, the reaction mixture is added to ice water and the organic phase extracted with ethyl acetate. The dried organic phase is evaporated to dryness in vacuo, dissolved in ethanol and the solution directly used for the next reaction.

With pyridine;dmap; In tetrahydrofuran;Heating / reflux;

9.2 g (63.4 mmol) 2- (acetylamino) butanoic acid are suspended in 120 ml tetrahydro- furan and heated to reflux together with 15.0 g (190 mmol) pyridine and a bit of N, N- dimethylaminopyridine. While heating at reflux, 17.3 g (127 mmol) ethyl chloro- (oxo) acetate are added dropwise. The reaction mixture is heated at reflux until no more evolution of gas can be observed.. After cooling down to room temperature, the reaction mixture is added to ice water and the organic phase extracted with ethyl acetate. The dried organic phase is evaporated to dryness in vacuo, dissolved in ethanol and the solution directly used for the next reaction.

Reference： [1]Patent: US2003/139415,2003,A1
[2]Patent: WO2003/93268,2003,A1 .Location in patent: Page/Page column 25-26
[3]Patent: WO2003/93270,2003,A1 .Location in patent: Page/Page column 21-22
[4]Patent: WO2003/97645,2003,A1 .Location in patent: Page/Page column 26-27

31
[ 2835-81-6 ]
[ 7211-57-6 ]

Yield	Reaction Conditions	Operation in experiment
220 g (96%)	With acetic anhydride; In acetic acid; ethyl acetate;	EXAMPLE 1A 2-(Acetylamino)butanoic Acid 163 g (1,58 mol) 2-aminobutanoic acid are dissolved in acetic acid, and 242 g (2,37 mol) acetic anhydride are added dropwise. The mixture is stirred for 2 h at 100 C. until completion of reaction, then the solution evaporated to dryness in vacuo. The solid residue is suspended in ethyl acetate, filtered and washed with diethyl ether. Yield: 220 g (96%) 1H-NMR (Methanol-d4): delta=0,97 (t, 3H), 1,65-1,93 (m, 2H), 1,99 (s, 3H), 4,29 (q, 1H) ppm.
	With acetic anhydride;	EXAMPLE 2A 2-(Acetylamino)butanoic acid 163 g (1.58 mol) of 2-aminobutyric acid are reacted analogously to Example 1A with 242 g (2.37 mol) of acetic anhydride to give 2-(acetylamino)butanoic acid. Yield: 220 g (95.9% of th.) 1H-NMR (methanol-d4): delta/ppm 0.97 (t, 3 H), 1.65-1.93 (m, 2 H), 1.99 (s, 3 H), 4.29 (q, 1 H).

Reference： [1]Patent: US2003/139415,2003,A1
[2]Patent: US2002/198377,2002,A1

32
[ 7211-57-6 ]
[ 2643-66-5 ]

Yield	Reaction Conditions	Operation in experiment
95%		EXAMPLE VIII Example VII was repeated except that the ethyl 2-acetamido-3-aminobutyrate was replaced with 3.1 g of 2-acetamidobutyric acid. The reaction again resulted in a 95% yield of crystals of 2,3-diaminobutyric acid.

Reference： [1]Patent: US4593118,1986,A

33
CoCl_2.2H₂ O [ No CAS ]
[ 7211-57-6 ]
[ 2835-81-6 ]

Yield	Reaction Conditions	Operation in experiment
	In water;	14.5 g of N-acetyl-DL-2-aminobutyric acid was dissolved in 1 liter of water and the pH thereof was adjusted to 8.0 with LiOH. To the solution were added 83 mg of CoCl2.2H2 O and 21,750 units of a fungal acylase and reacted at 37C. When the L-2-aminobutyric acid produced was followed by a colorimetric determination using ninhydrin, it was found that about 100% conversion was attained in 17 hours.

Reference： [1]Patent: US3979457,1976,A

34
[ 7211-57-6 ]
[ 56-35-9 ]
N-acetyl-DL-CH₃CHNHCH₂COO-tri-n-butyltin [ No CAS ]

Reference： [1]Monatshefte fur Chemie,1992,vol. 123,p. 801 - 806

35
[ 60-35-5 ]
[ 201230-82-2 ]
[ 123-38-6 ]
[ 7211-57-6 ]

Reference： [1]Chemistry Letters,2008,vol. 37,p. 1292 - 1293

36
[ 7211-57-6 ]
[ 68000-92-0 ]
(R)-2-((S)-2-acetamidobutanamido)-3-((2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienylthio)propanoic acid [ No CAS ]
(R)-2-((R)-2-acetamidobutanamido)-3-((2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienylthio)propanoic acid [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
		In a 100 mL round bottom flask, to a solution of N-acetyl-DL-2- amino-n-butyric acid (174 mg, 1.2 mmol) and 4-(4,6-dimethoxy-l,3,5-triazin-2yl)-4- methylmorpholinium chloride (DMTMM, 332 mg, 1.2 mmol) in CH2Cl2 (5 mL) was added N,N-diisopropyl-ethyl-amine (0.52 mL, 3 mmol) dropwise. After 10 min, S-trans, trans- farnesyl-L-cysteine (325 mg, 1 mmol) was added slowly. The solution was stirred at room temperature overnight. The mixture was diluted with ethyl acetate (60 mL) and washed by 0.5 N HCl (15 mL x 1), H2O (15 mL x 2) and brine (15 mL x 2). The organic layer was dried over Na2SO4 and concentrated in vacuo. The residue was purified by preparative HPLC (290 mg, 64%) to yield a 1 :1 ratio mixture of R-R and S-R isomers of Compound N-46, similar to Compound C racemate in Examples 5 and 5a. 1H-NMR (500 MHz, CD3OD): delta 0.86 (m, 3H), 1.50 (s, 6H), 1.57 (s, 3H), 1.60 (s, 3H), 1.72-2.03 (m, 13H), 2.61-2.68 (m, IH), 2.87-2.89 (m, IH), 3.04 (m, IH), 3.12-3.21 (m, IH), 4.21-4.25 (m, IH), 4.45-4.48 (m, IH), 4.99-5.01 (m, 2H), 5.13 (t, J = 7.5 Hz, IH). 13C-NMR (125 MHz, CD3OD): delta 10.62, 10.70, 16.16, 16.25, 17.81, 22.46, 25.96, 26.56, 26.68, 27.42, 27.79, 30.11, 30.27, 33.31, 33.52, 40.80, 40.89, 53.11, 53.42, 56.02, 56.07, 121.56, 121.60, 125.13, 125.46, 132.11, 136.26, 136.27, 140.54, 173.28, 173.32, 173.69, 174.26, 174.31; ES-MS: mass calcd for Chemical Formula: C24H40N2O4S 452.65. Found (M+) m/z 453.3, (M+Na) m/z 475.2.

Reference： [1]Patent: WO2010/56778,2010,A1 .Location in patent: Page/Page column 166-167

37
[ 7211-57-6 ]
4-(4-phenoxyphenoxy)benzamidoxime [ No CAS ]
N-(1-(3-(4-(4-benzyloxyphenoxy)phenyl)-1,2,4-oxadiazol-5-yl)propyl)acetamide [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
78%		General procedure: A solution of amino acid (1.5equiv), HATU (1.5equiv) and DIEA (1.5equiv) in anhydrous DMF was stirred at room temperature for 30min. Amidoxime (1.0equiv) was then added, and the resulting mixture was further stirred at room temperature for 1-2.5h. Stirring was continued at 80-100C for 2-9h. After the reaction, the mixture was diluted with AcOEt and washed with aq NaHCO3. The organic layer was dried over Na2SO4, and the solvent was removed under reduced pressure. The residue was purified by silica gel column chromatography (n-hexane/AcOEt or CHCl3/AcOEt) to afford the product.

Reference： [1]Bioorganic and Medicinal Chemistry,2016,vol. 24,p. 5455 - 5461

38
[ 7211-57-6 ]
C₁₅H₂₀BrN₃O₃ [ No CAS ]
ethyl 2-(4-bromophenyl)-2-(3-ethyl-5-methyl-1H-1,2,4-triazol-1-yl)acetate [ No CAS ]

Reference： [1]Organic Letters,2019,vol. 21,p. 8037 - 8043

39
[ 7211-57-6 ]
methyl 2-(3-ethyl-5-methyl-1H-1,2,4-triazol-1-yl)-2-phenylacetate [ No CAS ]

Reference： [1]Organic Letters,2019,vol. 21,p. 8037 - 8043

40
[ 524-38-9 ]
[ 7211-57-6 ]
C₁₄H₁₄N₂O₅ [ No CAS ]

Reference： [1]Organic Letters,2019,vol. 21,p. 8037 - 8043

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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. 7211-57-6 ] {[proInfo.proName]}

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[ 7211-57-6 ] Synthesis Path-Upstream 1~12

[ 7211-57-6 ] Synthesis Path-Downstream 1~40

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Amino Acid Derivatives

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