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N-BOC-O-Benzyl-L-serine

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Name

N-BOC-O-Benzyl-L-serine

EINECS 245-820-1
CAS No. 23680-31-1 Density 1.174 g/cm3
PSA 84.86000 LogP 2.57200
Solubility Insoluble in water and petroleum ether, soluble in ethyl acetate, acetic acid and ethanol Melting Point 57-62 °C
Formula C15H21NO5 Boiling Point 456.2 °C at 760 mmHg
Molecular Weight 295.335 Flash Point 229.7 °C
Transport Information N/A Appearance White powder
Safety 24/25-36-26 Risk Codes 20/21/22-36/37/38
Molecular Structure Molecular Structure of 23680-31-1 (N-BOC-O-Benzyl-L-serine) Hazard Symbols HarmfulXn
Synonyms

Boc-Ser(Bzl)-OH;Alanine,3-(benzyloxy)-N-carboxy-, N-tert-butyl ester, L- (8CI);(2S)-3-(Benzyloxy)-2-[(tert-butoxycarbonyl)amino]propanoicacid;BOC-O-benzylserine;N-(tert-Butoxycarbonyl)serine benzyl ether;N-tert-Butoxycarbonyl-O-benzyl-L-serine;N-tert-Butoxycarbonyl-O-benzylserine;N-tert-Butyloxycarbonyl-O-benzyl-L-serine;NSC 334364;O-Benzyl-N-tert-butoxycarbonyl-L-serine;tert-Butoxycarbonyl-O-benzyl-L-serine;tert-Butoxycarbonyl-O-benzylserine;

Article Data 39

N-BOC-O-Benzyl-L-serine Specification

The IUPAC name of L-Serine,N-[(1,1-dimethylethoxy)carbonyl]-O-(phenylmethyl)- is 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylmethoxypropanoic acid. With the CAS registry number 23680-31-1 and EINECS 245-820-1, it is also named as Alanine, 3-(benzyloxy)-N-carboxy-, N-tert-butyl ester, L-. The product's categories are Amino Acids; Boc-Amino Acids and Derivative; Amino Acids (N-Protected); Biochemistry; Boc-Amino Acids; Boc-Amino Acid Series. It is white powder which is insoluble in water and petroleum ether, soluble in ethyl acetate, acetic acid and ethanol. What's more, this chemical is used for peptide synthesis. Additionally, it should be stored at the temperature of 2-8 °C.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 3.56; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.19; (4)ACD/LogD (pH 7.4): -0.08; (5)ACD/BCF (pH 5.5): 1.29; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 8.86; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 6; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 8; (12)Index of Refraction: 1.523; (13)Molar Refractivity: 76.83 cm3; (14)Molar Volume: 251.5 cm3; (15)Polarizability: 30.46×10-24 cm3; (16)Surface Tension: 44.3 dyne/cm; (17)Enthalpy of Vaporization: 75.46 kJ/mol; (18)Vapour Pressure: 4.07E-09 mmHg at 25°C; (19)Rotatable Bond Count: 8; (20)Tautomer Count: 2; (21)Exact Mass: 295.141973; (22)MonoIsotopic Mass: 295.141973; (23)Topological Polar Surface Area: 84.9; (24)Heavy Atom Count: 21; (25)Complexity: 345.

Preparation of L-Serine,N-[(1,1-dimethylethoxy)carbonyl]-O-(phenylmethyl)-: It can be obtained by acylation of O-Benzyl-L-serine and tert-Butoxycarbonyl azide.

When you are using this chemical, please be cautious about it as the following:
It is not only harmful by inhalation, in contact with skin and if swallowed, but also irritating to eyes, respiratory system and skin. So people should avoid contact with skin and eyes. 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(OC(C)(C)C)N[C@H](C(=O)O)COCc1ccccc1
2. InChI:InChI=1/C15H21NO5/c1-15(2,3)21-14(19)16-12(13(17)18)10-20-9-11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3,(H,16,19)(H,17,18)/t12-/m0/s1
3. InChIKey:DMBKPDOAQVGTST-LBPRGKRZBV

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