N-[(1,1-Dimethylethoxy)carbonyl]-S-(triphenylmethyl)-L-cysteine
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![N-[(1,1-Dimethylethoxy)carbonyl]-S-(triphenylmethyl)-L-cysteine structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/19efadb8137c438d86e9bad1e1f47fbf.png "N-[(1,1-Dimethylethoxy)carbonyl]-S-(triphenylmethyl)-L-cysteine")
N-[(1,1-Dimethylethoxy)carbonyl]-S-(triphenylmethyl)-L-cysteine
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CAS No:
21947-98-8
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Formula:
C27H29NO4S
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Chemical Name:
N-[(1,1-Dimethylethoxy)carbonyl]-S-(triphenylmethyl)-L-cysteine
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Synonyms:
L-Cysteine,N-[(1,1-dimethylethoxy)carbonyl]-S-(triphenylmethyl)-;Alanine,N-carboxy-3-(tritylthio)-,N-tert-butyl ester,L-;N-[(1,1-Dimethylethoxy)carbonyl]-S-(triphenylmethyl)-L-cysteine;N-tert-Butoxycarbonyl-S-tritylcysteine;N-(tert-Butoxycarbonyl)-S-trityl-L-cysteine;N-Boc-S-trityl-L-cysteine;NSC 129903;2: PN: US20040265921 PAGE: 4 claimed protein;6: PN: WO2015068532 SEQID: 6 claimed sequence;(2R)-2-[(2-Methylpropan-2-yl)oxycarbonylamino]-3-tritylsulfanylpropanoic acid
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CAS No:
N-[(1,1-Dimethylethoxy)carbonyl]-S-(triphenylmethyl)-L-cysteine Basic Attributes
463.59
463.59
244-674-6
129903
29309016
Characteristics
101
5.9
White Powder
1.2±0.1 g/cm3
76-77 °C
610.9°C at 760 mmHg
323.3±31.5 °C
1.596
2-8°C
0mmHg at 25°C
27.5 º (c=1, EtOH)
N-[(1,1-Dimethylethoxy)carbonyl]-S-(triphenylmethyl)-L-cysteine Use and Manufacturing
To a solution of 2[36] and [37] (5 g, 12.7 mmol) in NaOH 2N (80 mL) was added BocThe compound S-trityl-L-cysteine (5 g, 13.76 mmol)Was dissolved in dioxane (40 ml)Water (20 ml), 1M sodium hydroxide solution (14 ml)Stir under ice bath, Boc-anhydride (3.5 ml, 15.14 mmol) was added, The reaction naturally rose to room temperature, Stirring for 8 hours, TLC detection reaction is completed, The reaction mixture was concentrated to 20-25 ml, Ethyl acetate was added, A solution of sodium bisulfate was added dropwise under stirring in an ice bath, After adjusting the pH to 2-3, Extracted with ethyl acetate, The organic layer was washed with saturated brine, Then dried over sodium sulfate, concentrate, Column chromatography (methanol: dichloromethane 1percent -5percent), The product was a white solid (5.5 g, yield: 86.21percent).To the solution of Trt-Cys-OH (22.68 g, 62.5 mmol) in dioxane (60 mL) and water (125 mL) was added di-tert-butyldicarbonate (41 g, 187 mmol) at 45
Computed Properties
Molecular Weight:463.6
XLogP3:5.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:10
Exact Mass:463.18172958
Monoisotopic Mass:463.18172958
Topological Polar Surface Area:101
Heavy Atom Count:33
Complexity:583
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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N-[(1,1-Dimethylethoxy)carbonyl]-S-(triphenylmethyl)-L-cysteine
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