Conditions | Yield |
---|---|
With hydrogen; rhodium(I)-bis(1,5-cyclooctadiene) tetrafluoroborate; triethylamine; (2R,2'R)-bis(diphenylphosphino)-(1R,1'R)-dicyclopentane In tetrahydrofuran at 20℃; under 750.075 Torr; for 24h; | 100% |
With hydrogen; In ethanol at 20℃; under 1 Torr; | 80% |
With hydrogen; [(1,5-cyclooctadiene){bis(2-(Ph2PCH2CH2)succinamido}Rh]*ClO4 In phosphate buffer at 37℃; for 12h; pH=7.0; | 23% |
Conditions | Yield |
---|---|
In water for 0.0666667h; Irradiation; | 96% |
In acetic acid at 20℃; | 69% |
at 0 - 20℃; | 20% |
Conditions | Yield |
---|---|
In water at 110℃; for 0.0833333h; Microwave irradiation; Green chemistry; chemoselective reaction; | 85% |
Stage #1: L-alanin; acetyl chloride With sodium hydroxide In water at 0 - 20℃; Stage #2: With hydrogenchloride In water at 0℃; |
2-Acetamidoacrylic acid
A
(S)-acetamidoalanine
B
(R)-2-(acetylamino)propanoic acid
Conditions | Yield |
---|---|
With hydrogen; chloro(1,5-cyclooctadiene)rhodium(I) dimer; diphosphane In methanol for 1h; | A n/a B 81% |
With hydrogen; (1+)*BF4(1-) In ethanol under 750.06 Torr; Yield given. Yields of byproduct given. Title compound not separated from byproducts; | |
With hydrogen; bis(norbornadiene)rhodium(l)tetrafluoroborate; 1-phenyl-1,2-bis(diphenylphosphino)ethane In methanol Ambient temperature; Yield given. Yields of byproduct given. Title compound not separated from byproducts; |
5-acetylamino-5-deoxy-L-gulomethylitol
(S)-acetamidoalanine
Conditions | Yield |
---|---|
With lead(IV) acetate; acetic acid und anschliessend mit Brom; |
(R)-2-(acetylamino)propanoic acid
(S)-acetamidoalanine
Conditions | Yield |
---|---|
In water at 120℃; Rate constant; |
methyl 2-acetamidopropanoate
(S)-acetamidoalanine
Conditions | Yield |
---|---|
With cross-linked yeast cells (Saccharomyces cerevisiae); water In dimethyl sulfoxide at 30℃; for 60h; |
methyl 2-acetamidopropanoate
A
(S)-acetamidoalanine
B
Methyl (R)-N-acetylalaninate
Conditions | Yield |
---|---|
In ethanol; water at 35℃; for 48h; | |
With Lecitase Ultra; water; calcium chloride at 30℃; for 12h; pH=8.5; aq. buffer; Enzymatic reaction; optical yield given as %ee; enantioselective reaction; | |
With water In aq. phosphate buffer at 40℃; for 1h; pH=7.0; Temperature; Concentration; pH-value; Microbiological reaction; Resolution of racemate; enantioselective reaction; | A n/a B n/a |
ethyl 2-acetamidopropanoate
A
(S)-acetamidoalanine
B
(R)-2-(acetylamino)propanoic acid
C
(R)-N-ethanoylalanine ethyl ester
Conditions | Yield |
---|---|
at 35℃; for 48h; in the present of Saccharomyces cerevisiae Hansen; Yield given. Yields of byproduct given; |
ethyl 2-acetamidopropanoate
A
(S)-acetamidoalanine
B
(R)-N-ethanoylalanine ethyl ester
Conditions | Yield |
---|---|
With Fermentative hydrolysis: Saccharomyces cerevisiae Hansen and various yeasts In ethanol; water at 35℃; for 48h; Product distribution; Fermentation cond. and enzym system involved (proteinase) investigated; | |
In ethanol; water at 35℃; for 48h; Yield given; |
N-Acetyl-D,L-α-alanin-n-butylester
A
(S)-acetamidoalanine
B
D-N-acetylamino alanine n-butyl ester
Conditions | Yield |
---|---|
In ethanol; water at 35℃; for 48h; |
N-acetyl-DL-alanine propyl ester
A
(S)-acetamidoalanine
B
(R)-2-Acetylamino-propionic acid propyl ester
Conditions | Yield |
---|---|
In ethanol; water at 35℃; for 48h; |
N-α-Acetyl-L-alanine p-nitrophenyl ester
A
4-nitro-phenol
B
(S)-acetamidoalanine
Conditions | Yield |
---|---|
With water; poly(iminomethylene); cetylpyridinium chloride at 23℃; Rate constant; pH 5.6; different poly(iminomethylene) 1-cetylpyridinium complexes catalysts and pH-s; | |
With polyethylene glycol dodecyl ether; (S)-N-<6-(n-dodecyloxymethyl)pyridine-2-yl>methylprolinol; copper(II) nitrate at 25℃; Rate constant; |
N-acetyl-L-alanine chloroethyl ester
(S)-acetamidoalanine
Conditions | Yield |
---|---|
With pH 7.0; subtilisin Carlsberg In water at 30℃; Kinetics; further enzymes; |
L-alanin
4-nitrophenol acetate
A
4-nitro-phenol
B
(S)-acetamidoalanine
Conditions | Yield |
---|---|
β‐cyclodextrin In water; dimethyl sulfoxide at 25℃; Rate constant; Mechanism; various conditions; analogous reaction with other amino acids and with amino acid methyl esters; | |
β‐cyclodextrin In water; dimethyl sulfoxide at 25℃; Rate constant; Mechanism; various conditions; |
DL-N-acetyl alanine isopropyl ester
A
(S)-acetamidoalanine
B
D-N-acetyl alanine isopropyl ester
Conditions | Yield |
---|---|
In ethanol; water at 35℃; for 48h; Yield given; |
DL-N-acetyl alanine n-octyl ester
A
(S)-acetamidoalanine
B
D-N-acetylamino alanine n-octyl ester
Conditions | Yield |
---|---|
In ethanol; water at 35℃; for 48h; |
DL-acetylamino alanine cyclohexyl ester
A
(S)-acetamidoalanine
B
(R)-2-Acetylamino-propionic acid cyclohexyl ester
Conditions | Yield |
---|---|
In ethanol; water at 35℃; for 48h; |
DL-N-acetylamino alanine benzyl ester
A
(S)-acetamidoalanine
B
D-N-acetylamino alanine benzyl ester
Conditions | Yield |
---|---|
In ethanol; water at 35℃; for 48h; |
2-methyl-4-methyl-4H-oxazolin-5-one
A
(S)-acetamidoalanine
B
(R)-2-(acetylamino)propanoic acid
Conditions | Yield |
---|---|
With alpha cyclodextrin In water; acetonitrile pH 7.86; Title compound not separated from byproducts; |
A
(S)-acetamidoalanine
B
(R)-2-(acetylamino)propanoic acid
Conditions | Yield |
---|---|
2-ethoxy-N-(9-deoxyepicinchonine-9-yl)benzamide In tetrahydrofuran at 70℃; for 24h; Title compound not separated from byproducts.; |
Conditions | Yield |
---|---|
With acylase I from porcine kidney In phosphate buffer for 24h; pH=7.5; Product distribution; Further Variations:; Reagents; |
diethyl α-acetamido, α-methylmalonate
(S)-acetamidoalanine
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: 20 percent / KOH / ethanol; H2O / 144 h / 20 °C 2: N-(9-deoxyepicinchonine-9-yl)-2-ethoxybenzamide / tetrahydrofuran / 24 h / 70 °C View Scheme |
2-Acetamidoacrylic acid
N-acetamido cinnamic acid
A
(S)-acetamidoalanine
B
(R)-2-(acetylamino)propanoic acid
C
(R)-N-acetylphenylalanin
D
(S)-2-acetylamino-3-phenylpropanoic acid
Conditions | Yield |
---|---|
With hydrogen; streptavidin; [Rh(COD)Biot-(R)-Pro-1]+ In water; dimethyl sulfoxide at 20℃; under 3750.38 Torr; for 15h; pH=5.5; |
3-(2-(acetylamino)propanoyl)-1-(4-cyanophenyl)-3-methyltriazene
A
(S)-acetamidoalanine
B
4-Aminobenzonitrile
Conditions | Yield |
---|---|
With sulfuric acid; water at 25℃; pH=0.72; Kinetics; pH-value; Reagent/catalyst; |
Conditions | Yield |
---|---|
In water at 25℃; Kinetics; Concentration; |
Conditions | Yield |
---|---|
In water at 25℃; Kinetics; Concentration; |
Conditions | Yield |
---|---|
In water at 25℃; Kinetics; Concentration; |
Conditions | Yield |
---|---|
With Raney nickel In ethanol at 70℃; for 7h; |
(S)-acetamidoalanine
bis(triphenylphosphane)carbonatoplatinum(II) dichloromethane monosolvate
Conditions | Yield |
---|---|
In methanol at 20℃; Inert atmosphere; Schlenk technique; | 99% |
(S)-acetamidoalanine
L-Phenylalanine amide
Nα-(9-Fluorenylmethoxycarbonyl)-3-O-(2,3,4,6-tetra-O-acetyl-β-D-galactopyranosyl)-L-serine pentafluorophenyl ester
Ac-Ala-Ser[β-Gal(OAc)4]-Phe-NH2
Conditions | Yield |
---|---|
Multistep reaction; | 97% |
Conditions | Yield |
---|---|
With cesium fluoride In acetonitrile for 1.5h; Heating; | 95% |
(S)-acetamidoalanine
L-alanine methyl ester hydrochloride
N-acetyl-L-alanyl-L-alanine methyl ester
Conditions | Yield |
---|---|
With cyano-hydroxyimino-acetic acid 2,2-dimethyl-[1,3]dioxolan-4-ylmethyl ester; sodium hydrogencarbonate; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In water at 20℃; for 2h; optical yield given as %de; | 95% |
(S)-acetamidoalanine
(S)-tryptophan methyl ester hydrochloride
Conditions | Yield |
---|---|
Stage #1: (S)-tryptophan methyl ester hydrochloride With potassium carbonate In water at 25℃; for 0.166667h; Stage #2: (S)-acetamidoalanine With O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; N-ethyl-N,N-diisopropylamine In dichloromethane at 25℃; for 12h; | 95% |
(S)-acetamidoalanine
chloroacetonitrile
N-acetyl-(S)-alanine cyanomethyl ester
Conditions | Yield |
---|---|
With triethylamine In acetonitrile at 0 - 20℃; for 4.5h; | 94% |
With triethylamine In acetonitrile at 20℃; | 78% |
(S)-acetamidoalanine
benzyl (2S)-2-pyrrolidinecarboxylate hydrochloride
Ac-Ala-Pro-OBn
Conditions | Yield |
---|---|
With 4-methyl-morpholine; benzotriazol-1-ol; dicyclohexyl-carbodiimide for 16h; Ambient temperature; | 93% |
Conditions | Yield |
---|---|
With K10 clay for 0.0333333h; Cyclization; microwave irradiation; | 92% |
With toluene-4-sulfonic acid In benzene Heating; |
Conditions | Yield |
---|---|
With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane at 0 - 20℃; for 4.5h; | 92% |
(S)-acetamidoalanine
benzylamine
2-(acetylamino)-N-(phenylmethyl)propanamide
Conditions | Yield |
---|---|
Stage #1: (S)-acetamidoalanine With N-chlorobenzotriazole; triphenylphosphine In dichloromethane at 0 - 20℃; for 0.25h; Stage #2: benzylamine With triethylamine at 20℃; for 1.16667h; | 90% |
Conditions | Yield |
---|---|
With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane at 20℃; | 90% |
(S)-acetamidoalanine
methyl (2S)-2-amino-3-phenylpropanoate
N-acetyl-L-alaninyl-L-phenylalanine methyl ester
Conditions | Yield |
---|---|
With O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; N-ethyl-N,N-diisopropylamine In dichloromethane at 25℃; for 12h; | 89% |
C22H29N3O3S2
(S)-acetamidoalanine
(2S)-2-(acetylamino)-N-[(1S,2R)-2-hydroxy-3-[[(4-methoxyphenyl)sulfonyl][(2S)-2-methylbutyl]amino]-1-(phenylmethyl)propyl]-propanamide
Conditions | Yield |
---|---|
With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane; water at 0 - 4℃; | 88% |
Conditions | Yield |
---|---|
With caesium carbonate In acetonitrile at 0 - 20℃; for 16.5h; | 88% |
(S)-acetamidoalanine
(3,5,6-trimethyl pyrazine-2-yl)methyl-10-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-eicosahydropicene-2-carboxylate
Conditions | Yield |
---|---|
With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane | 88% |
Conditions | Yield |
---|---|
With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide at 20℃; for 8h; | 87% |
(S)-acetamidoalanine
L-Phenylalanine amide
(S)-2-[(9H-Fluoren-9-ylmethoxycarbonyl)-methyl-amino]-3-((2R,3R,4S,5S,6R)-3,4,5-triacetoxy-6-acetoxymethyl-tetrahydro-pyran-2-yloxy)-propionic acid pentafluorophenyl ester
Ac-Ala-Nα-Me-Ser[β-Gal(OAc)4]-Phe-NH2
Conditions | Yield |
---|---|
Multistep reaction; | 86% |
Conditions | Yield |
---|---|
With O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; N-ethyl-N,N-diisopropylamine In dichloromethane at 25℃; for 12h; | 86% |
Conditions | Yield |
---|---|
With dmap; dicyclohexyl-carbodiimide In tetrahydrofuran at 0 - 20℃; for 12h; | 84% |
(S)-acetamidoalanine
Conditions | Yield |
---|---|
With potassium carbonate; sodium iodide In acetone at 70℃; for 1h; | 84% |
Conditions | Yield |
---|---|
With benzotriazol-1-ol; dicyclohexyl-carbodiimide In N,N-dimethyl-formamide for 4h; | 83% |
With dmap; dicyclohexyl-carbodiimide In N,N-dimethyl-formamide at 20℃; for 12h; Inert atmosphere; | 53% |
With benzotriazol-1-ol; dicyclohexyl-carbodiimide In N,N-dimethyl-formamide for 4h; |
(S)-acetamidoalanine
1'-[((fluoren-9-yl)methoxycarbonyl)amino]ferrocene-1-carboxylic acid
Conditions | Yield |
---|---|
With TentaGel-Wang-Ala-Fmoc; 1,3-diisopropylcarbodiimide; 1-hydroxybenzotriazole In dichloromethane; N,N-dimethyl-formamide Fmoc-Fca-OH + DIC/HOBt in CH2Cl2/DMF added to resin (TentaGel-Wang + piperidine in CH2Cl2/DMF, washed), shaked (12 h), washed, added acetic anhydride/pyridine (30 min), washed, added piperidine in CH2Cl2/DMF, Ac-Ala-OH + HOBt/DIC added, shaked (12 h); washed (DMF, CH2Cl2), cleaved from resin (50% trifluoroacetic acid in CH2Cl2, 1h), purified on silica gel (EtOAc/MeOH); | 83% |
Conditions | Yield |
---|---|
With caesium carbonate In acetonitrile at 0 - 20℃; for 16.5h; | 83% |
(S)-acetamidoalanine
Conditions | Yield |
---|---|
With potassium carbonate; sodium iodide In acetone at 70℃; for 1h; | 81% |
(S)-acetamidoalanine
(4S,4'S,5S,5'S)-2,2'-(propane-2,2-diyl)bis(4-(hydroxymethyl)-5-phenyl-4,5-dihydrooxazole)
Conditions | Yield |
---|---|
With dmap; dicyclohexyl-carbodiimide In dichloromethane at 0 - 20℃; | 78% |
(S)-acetamidoalanine
N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-alanine
N-[(9H-fluoren-9-ylmethoxy)carbonyl]-α-aminoisobutyric acid
Ac-Ala-Aib-Ala-OH
Conditions | Yield |
---|---|
Multistep reaction.; | 78% |
The IUPAC name of L-Alanine, N-acetyl- is 2-acetamidopropanoic acid. With the CAS registry number 97-69-8, it is also named as N-Acetyl-S-alanine. The product's categories are Amino Acids Derivatives; Amino Acids; Alanine [Ala, A]; N-Acetyl-Amino acid series; A - H; Amino Acids; Modified Amino Acids. It is white cyrstalline solid which is used in the immunodominant determinant of acidic surface antigen from culture filtrate of human strain of Staph aureus. Additionally, this chemical should be sealed in the container and stored at the temperature of 2-8 °C.
The other characteristics of this product can be summarized as: (1)ACD/LogP: -1.07; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.19; (4)ACD/LogD (pH 7.4): -4.63; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 46.61 Å2; (13)Index of Refraction: 1.454; (14)Molar Refractivity: 30.36 cm3; (15)Molar Volume: 112 cm3; (16)Polarizability: 12.03×10-24 cm3; (17)Surface Tension: 40.9 dyne/cm; (18)Enthalpy of Vaporization: 67.7 kJ/mol; (19)Vapour Pressure: 1.77E-06 mmHg at 25°C; (20)Rotatable Bond Count: 2; (21)Tautomer Count: 2; (22)Exact Mass: 131.058243; (23)MonoIsotopic Mass: 131.058243; (24)Topological Polar Surface Area: 66.4; (25)Heavy Atom Count: 9; (26)Complexity: 132.
Uses of L-Alanine, N-acetyl-: It can react with methyl-(2-pyridin-2-yl-ethyl)-amine to get 2-acetylamino-N-methyl-N-(2-pyridin-2-yl-ethyl)-propionamide. This reaction needs reagent dicyclohexylcarbodiimide at temperature of 20 °C. The yield is 65%.
When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing.
People can use the following data to convert to the molecule structure.
1. SMILES:O=C(NC(C(=O)O)C)C
2. InChI:InChI=1/C5H9NO3/c1-3(5(8)9)6-4(2)7/h3H,1-2H3,(H,6,7)(H,8,9)
3. InChIKey:KTHDTJVBEPMMGL-UHFFFAOYAE
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