Benzyl D-leucinate 4-methylbenzenesulfonate (1:1)

Basic Information

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CAS Number

17664-93-6

Molecular Formula

C20H27NO5S

Molecular Weight

393.51 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Amines

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Physical State

No data available

Melting Point

156.0 to 160.0 deg-C

Boiling Point

No data available

Flash Point

No data available

Refractive Index

-5 ° (C=2, DMF)

Vapor Pressure

No data available

SMILES

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CC1=CC=C(C=C1)S(=O)(=O)O.CC(C)CC(C(=O)OCC1=CC=CC=C1)N

InChI

InChI=1S/C13H19NO2.C7H8O3S/c1-10(2)8-12(14)13(15)16-9-11-6-4-3-5-7-11;1-6-2-4-7(5-3-6)11(8,9)10/h3-7,10,12H,8-9,14H2,1-2H3;2-5H,1H3,(H,8,9,10)/t12-;/m1./s1

InChIKey

QTQGHKVYLQBJLO-UTONKHPSSA-N

LogP

3.344920000000001

Topological Polar Surface Area

106.69 Å²

Hydrogen Bond Donor/Acceptor

3 / 6

Complexity

416

Synonyms & References

English

L0194
FD21894
D-Leucine, phenylmethyl ester, 4-methylbenzenesulfonate (1:1)
S-17664-93-6
H-D-LEU-OBZL TOS
AM81881
D-Leucine Benzyl Ester p-Toluenesulfonate
DTXSID30659803
H-D-Leu-OBzl.TosOH
CS-W011715
H-D-Leu-OBzl*Tos
C20H27NO5S
4-Methylbenzene-1-sulfonic acid--benzyl D-leucinate (1/1)
d-leucine o-benzyl ester tosylate salt
H-D-LEU-OBZL P-TOSYLATE
benzyl (2R)-2-amino-4-methylpentanoate;4-methylbenzenesulfonic acid
SCHEMBL715653
AKOS015924126
D-Leucine benZyl ester tosylate (H-D-Leu-OBZl.Tos)
QTQGHKVYLQBJLO-UTONKHPSSA-N
HY-W010999
D-Leucine benzyl ester tosylate
J-300164
DS-15273
H-D-Leu-OBzl.Tos-OH
17664-93-6
MFCD00066116
(R)-Benzyl 2-amino-4-methylpentanoate 4-methylbenzenesulfonate
H-D-LEU-OBZL .TOS
H-D-Leu-OBzl · p-tosylate
H-D-Leu-OBzl.Tos.OH

MDL Number

MFCD00066116

FAQ

What is Benzyl D-leucinate 4-methylbenzenesulfonate (CAS: 17664-93-6)?

Benzyl D-leucinate 4-methylbenzenesulfonate (CAS: 17664-93-6) is a compound used in pharmaceutical and chemical research. It consists of benzyl, D-leucinate, and 4-methylbenzenesulfonate groups. This compound has a molecular weight of approximately 338.45 g/mol and is typically white to light yellow crystalline powder.

What are the main uses of Benzyl D-leucinate 4-methylbenzenesulfonate (CAS: 17664-93-6)?

Benzyl D-leucinate 4-methylbenzenesulfonate (CAS: 17664-93-6) is primarily used in pharmaceuticals and chemical research for its reactivity and solubility properties. It can serve as a precursor in the synthesis of other compounds and as a salt in various chemical reactions.

Is Benzyl D-leucinate 4-methylbenzenesulfonate (CAS: 17664-93-6) safe?

Benzyl D-leucinate 4-methylbenzenesulfonate (CAS: 17664-93-6) is generally considered safe under normal handling conditions. However, it should be handled with care to avoid skin contact and inhalation. Proper personal protective equipment (PPE) including gloves and respirators is recommended.

How should Benzyl D-leucinate 4-methylbenzenesulfonate (CAS: 17664-93-6) be stored?

Benzyl D-leucinate 4-methylbenzenesulfonate (CAS: 17664-93-6) should be stored in a cool, dry place, away from direct sunlight and heat sources. It should be kept in a tightly sealed container to prevent moisture absorption and degradation. Store at a temperature not exceeding 25°C.