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CAS No.: | 10172-89-1 |
---|---|
Name: | N-ACETYL-D-PHENYLALANINE |
Article Data: | 220 |
Molecular Structure: | |
Formula: | C11H13NO3 |
Molecular Weight: | 207.229 |
Synonyms: | Alanine,N-acetyl-3-phenyl-, D- (8CI);(-)-2-Acetylamino-3-phenylpropanoic acid;(-)-N-Acetyl-L-phenylalanine;(-)-N-Acetylphenylalanine;(R)-(-)-N-Acetylphenylalanine;(R)-2-Acetylamino-3-phenylpropionic acid;(R)-N-Acetylphenylalanine;D-(-)-N-Acetylphenylalanine;D-N-Acetylphenylalanine;N-Acetyl-(R)-phenylalanine;N-Acetyl-3-phenyl-D-alanine;NSC 523830;(R)-2-(Acetylamino)-3-phenylpropanoic acid; |
EINECS: | 233-447-7 |
Density: | 1.2 g/cm3 |
Melting Point: | 167 °C |
Boiling Point: | 453.944 °C at 760 mmHg |
Flash Point: | 228.338 °C |
Appearance: | White Solid |
PSA: | 66.40000 |
LogP: | 1.20930 |
N-acetamido cinnamic acid
(R)-N-acetylphenylalanin
Conditions | Yield |
---|---|
With hydrogen; triethylamine; [Rh(CLPL-S)(COD)]BF4 In methanol at 40℃; under 15001.5 Torr; for 22h; Product distribution / selectivity; | 100% |
In ethanol | 98% |
With hydrogen; [Rh(norbornadiene)2]BF4 In methanol at 30℃; under 750.06 Torr; | 96% |
(R)-N-acetylphenylalanin
Conditions | Yield |
---|---|
96.2% |
N-acetamido cinnamic acid
A
(R)-N-acetylphenylalanin
B
(S)-2-acetylamino-3-phenylpropanoic acid
Conditions | Yield |
---|---|
With [Rh(cod)(Xylophos)](1+)*BF4(1-); hydrogen In methanol at 19.85℃; under 760 Torr; for 6h; | A 11% B 89% |
With hydrogen; (1+); Dowex HCR-S In methanol; water at 50℃; under 15001.2 Torr; Product distribution; other rhodium(I)-complexes, various reaction conditions: time, pressure and temperatures; other derivatives of acetamidoacryl acid; | |
With hydrogen; chloro(1,5-cyclooctadiene)rhodium(I) dimer; optically active phosphine In methanol at 20 - 30℃; under 825.07 Torr; for 72h; Product distribution; various di- and triphosphines, other temperatures and times; |
N-acetylphenylalanine methyl ester
(R)-N-acetylphenylalanin
Conditions | Yield |
---|---|
for 36h; carbonate hydrolyase EC 4.2.2.1 (bovine carbonic anhydrase, BCA), pH 7.5; | 81% |
ethyl N-acetyl-DL-phenylalaninate
A
(R)-N-acetylphenylalanin
B
(S)-2-acetylamino-3-phenylpropanoic acid
C
(R)-ethyl N-acetylphenylalanine
Conditions | Yield |
---|---|
With water In ethanol at 25℃; for 2h; Microbiological reaction; optical yield given as %ee; enantioselective reaction; | A n/a B n/a C 45% |
at 35℃; for 48h; in the present of Saccharomyces cerevisiae Hansen; Yield given. Yields of byproduct given; |
Conditions | Yield |
---|---|
With sodium hydroxide; water at 0℃; for 1h; | 41% |
(R,S)-N-acetyl phenylalanine
(1S)-endo-fenchylamine
(R)-N-acetylphenylalanin
(R,S)-N-acetyl phenylalanine
(1S,2S)-2-amino-1-(4-nitrophenyl)propane-1,3-diol
(R)-N-acetylphenylalanin
Conditions | Yield |
---|---|
With sodium hydroxide | |
at 0 - 4℃; for 3h; Acetylation; | |
With sodium hydroxide In water at 0 - 25℃; for 0.5h; pH=11 - 12; | |
With sodium hydroxide In water at 20℃; pH=14; |
Conditions | Yield |
---|---|
With papain |
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The N-Acetyl-D-phenylalanine, with the CAS registry number 10172-89-1, is also known as (R)-2-(Acetylamino)-3-phenylpropanoic acid. It belongs to the product categories of Amino Acid Derivatives; Amino Acids; Ac-Amino Acids; Amino Acids (N-Protected); Biochemistry; A - H; Modified Amino Acids; Amino Acids & Derivatives; Chiral Reagents. Its EINECS number is 233-447-7. This chemical's molecular formula is C11H13NO3 and molecular weight is 207.23. What's more, its systematic name is N-Acetyl-D-phenylalanine. This chemical should be sealed and stored in a cool and dry place. It is a kind of chiral chemical raw material and it is used as pharmaceutical intermediates. It is also used in biochemical research.
Physical properties of N-Acetyl-D-phenylalanine are: (1)ACD/LogP: -1.022; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.27; (4)ACD/LogD (pH 7.4): -4.63; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 66.4 Å2; (13)Index of Refraction: 1.548; (14)Molar Refractivity: 54.848 cm3; (15)Molar Volume: 172.709 cm3; (16)Polarizability: 21.744×10-24cm3; (17)Surface Tension: 48.4 dyne/cm; (18)Density: 1.2 g/cm3; (19)Flash Point: 228.338 °C; (20)Enthalpy of Vaporization: 75.179 kJ/mol; (21)Boiling Point: 453.944 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)[C@H](NC(=O)C)Cc1ccccc1
(2)Std. InChI: InChI=1S/C11H13NO3/c1-8(13)12-10(11(14)15)7-9-5-3-2-4-6-9/h2-6,10H,7H2,1H3,(H,12,13)(H,14,15)/t10-/m1/s1
(3)Std. InChIKey: CBQJSKKFNMDLON-SNVBAGLBSA-N