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Home > Encyclopedia > BOC-L-3-BENZOTHIENYLALANINE

BOC-L-3-BENZOTHIENYLALANINE

BOC-L-3-BENZOTHIENYLALANINE structure

BOC-L-3-BENZOTHIENYLALANINE 

structure
  • CAS No:

    154902-51-9

  • Formula:

    C16H19NO4S

  • Chemical Name:

    BOC-L-3-BENZOTHIENYLALANINE

  • 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

  • Categories:

    Active Pharmaceutical Ingredients  >  Other Chemical Drugs

BOC-L-3-BENZOTHIENYLALANINE Basic Attributes

321.39

321.103485

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

Safety Information

IRRITANT

NONH for all modes of transport

3

Xi

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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