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119290-61-8

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Basic Information
CAS No.: 119290-61-8
Name: DL-Phenylalanine-obzl p-tosylate
Molecular Structure:
Molecular Structure of 119290-61-8 (DL-Phenylalanine-obzl p-tosylate)
Formula: C23H25NO5S
Molecular Weight: 427.51
Synonyms: DL-Phenylalanine benzyl ester p-toluene-sulfonate;
Melting Point: 149 °C(Solv: water (7732-18-5))
Boiling Point: 382.8 °C at 760 mmHg
Flash Point: 220.3 °C
PSA: 115.07000
LogP: 5.32260
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Specification

The CAS registry number of DL-Phenylalanine-obzl p-tosylate is 119290-61-8. It belongs to the product category of Amino hydrochloride. This chemical is also named as DL-Phenylalanine benzyl ester p-toluene-sulfonate. In addition, its molecular formula is C23H25NO5S and molecular weight is 427.51. Its systematic is called benzyl phenylalaninate 4-methylbenzenesulfonate (1:1).

Physical properties about DL-Phenylalanine-obzl p-tosylate are: (1)ACD/LogP: 3.05; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 7; (6)Flash Point: 220.3 °C; (7)Enthalpy of Vaporization: 63.12 kJ/mol; (8)Boiling Point: 382.8 °C at 760 mmHg.

Uses of DL-Phenylalanine-obzl p-tosylate: it can be used to produce 3-phenyl-2-ureido-propionic acid benzyl ester by heating. It will need solvent tetrahydrofuran. The yield is about 70.4 %.

DL-Phenylalanine-obzl p-tosylate can be used to produce 3-phenyl-2-ureido-propionic acid benzyl ester

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(O)c1ccc(cc1)C.O=C(OCc1ccccc1)C(N)Cc2ccccc2
(2)InChI: InChI=1/C16H17NO2.C7H8O3S/c17-15(11-13-7-3-1-4-8-13)16(18)19-12-14-9-5-2-6-10-14;1-6-2-4-7(5-3-6)11(8,9)10/h1-10,15H,11-12,17H2;2-5H,1H3,(H,8,9,10)
(3)InChIKey: ZLZGBBIPWXUQST-UHFFFAOYAB