BOC-L-3-BENZOTHIENYLALANINE
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BOC-L-3-BENZOTHIENYLALANINE
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CAS No:
154902-51-9
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Formula:
C16H19NO4S
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Chemical Name:
BOC-L-3-BENZOTHIENYLALANINE
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Synonyms:
RARECHEM BK PT 0204;N-ALPHA-T-BOC-BETA-(3-BENZOTHIENYL)-L-ALANINE;N-ALPHA-T-BUTOXYCARBONYL-3-(3-BENZOTHIENYL)-L-ALANINE;BOC-3-(3-BENZOTHIENYL)-L-ALANINE;BOC-L-3-BENZOTHIENYLALA;BOC-L-3-BENZOTHIENYLALANINE;BOC-L-3-(3-BENZOTHIENYL)ALANINE;BOC-BTA-OH
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CAS No:
Characteristics
104
3.5
1.274±0.06 g/cm3(Predicted)
514.1±45.0 °C(Predicted)
264.7±28.7 °C
1.603
-15°C
2.56E-09mmHg at 25°C
BOC-L-3-BENZOTHIENYLALANINE Use and Manufacturing
To a solution of K2CO3 (0.75 g, 5. 43mmol), 3- (1-benzothien-3-yl)-L-alanine (1.0 g, 4.52 mmol) in THF:H2O (1: 1) was added (Boc) 20 (1.09 g, 5 mmol) at 0 C. The reaction mixture was then warmed up to RT and stirred overnight. Concentrated down the mixture and then dissolved into EtOAc and H20. The aqueous layer was adjusted to PH 1-2 by 6N HCI and the mixture was extracted with EtOAc three times. The organic layer was dried, filtered and concentrated to provide 1.22g product as a white foam (84percent).
Computed Properties
Molecular Weight:321.4
XLogP3:3.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:6
Exact Mass:321.10347926
Monoisotopic Mass:321.10347926
Topological Polar Surface Area:104
Heavy Atom Count:22
Complexity:421
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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