L-Alanine benzyl ester p-toluenesulfonate salt

Basic Information

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CAS Number

42854-62-6

Molecular Formula

C17H21NO5S

Molecular Weight

351.42 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

Melting Point

114.0 to 118.0 deg-C

Boiling Point

256.5℃ at 760 mmHg

Density

1.2600

Flash Point

No data available

Refractive Index

-5.0 ° (C=3, MeOH)

Vapor Pressure

No data available

Specific Rotation

-5 º (c=3% in methanol)

SMILES

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

InChI

InChI=1S/C10H13NO2.C7H8O3S/c1-8(11)10(12)13-7-9-5-3-2-4-6-9;1-6-2-4-7(5-3-6)11(8,9)10/h2-6,8H,7,11H2,1H3;2-5H,1H3,(H,8,9,10)/t8-;/m0./s1

InChIKey

NWOPHJSSBMABBD-QRPNPIFTSA-N

LogP

2.31872

Topological Polar Surface Area

106.69 Å²

Hydrogen Bond Donor/Acceptor

3 / 6

Complexity

371

Synonyms & References

English

L-Alaninebenzylesterp-toluenesulfonatesalt
CS-W011863
SCHEMBL716770
L-Alanine benzyl ester p-toluenesulfonate salt
AC-14337
AKOS015840383
W-60399
H-D-ALA-OBZL P-TOSYLATE
L-Ala-Obel.TsOH
2-Amino-propionic acid benzyl ester; compound with toluene-4-sulfonic acid
L-Alninebenzylester-p-toluene sulfonate salt
2-Amino-propionic acid benzyl ester; compound with toluene-4-sulfonic acid;L-Alanine Benzyl Ester p-Toluenesulfonate
FD21013
MFCD00066143
Q-101558
L-Alanine benzyl ester p-toluenesulfonate salt, >=95.0% (T)
AM81489
NWOPHJSSBMABBD-QRPNPIFTSA-N
J-300010
L-Alanine Benzyl Ester p-Toluenesulfonate
L-Alanine benzyl ester 4-toluenesulfonate
L-Alanine benzyl ester tosylate
benzyl (2S)-2-aminopropanoate;4-methylbenzenesulfonic acid
L-Alaninebenzylestertoluenesulfonicacid
4-methylbenzenesulfonate;[(2S)-1-oxo-1-phenylmethoxypropan-2-yl]azanium
C17H21NO5S
alanine benzyl ester p-toluenesulfonate
H-D-Ala-OBlz. Tos
Ala-OBzl.TosOH
(S)-Benzyl 2-aminopropanoate 4-methylbenzenesulfonate
L-Alanine, phenylmethyl ester, 4-methylbenzenesulfonate

MDL Number

MFCD00066143

Customs Code

2922499990

FAQ

What is L-Alanine benzyl ester p-toluenesulfonate salt (CAS: 42854-62-6)?

L-Alanine benzyl ester p-toluenesulfonate salt is a chemical compound with the CAS number 42854-62-6. It is an ester derivative of L-alanine, commonly used in organic synthesis. The compound is characterized by its white crystalline solid form, moderate solubility in water, and a mild, characteristic odor. It is a key intermediate in the production of various pharmaceuticals and fine chemicals.

What are the main uses of L-Alanine benzyl ester p-toluenesulfonate salt (CAS: 42854-62-6)?

L-Alanine benzyl ester p-toluenesulfonate salt is primarily used in pharmaceutical research for the synthesis of amino acid derivatives and as a building block in drug development. It also finds applications in the food industry as a flavor enhancer and in the production of chiral compounds. Its utility extends to organic chemistry research and industrial processes where controlled stereochemistry is essential.

Is L-Alanine benzyl ester p-toluenesulfonate salt (CAS: 42854-62-6) safe?

L-Alanine benzyl ester p-toluenesulfonate salt is generally considered safe when handled properly. However, it should be treated with care to avoid inhalation or skin contact, as it may cause irritation. Safety data sheets recommend using appropriate personal protective equipment (PPE), such as gloves and goggles. It is important to follow standard laboratory safety protocols to ensure safe handling and minimize exposure risks.

How should L-Alanine benzyl ester p-toluenesulfonate salt (CAS: 42854-62-6) be stored?

L-Alanine benzyl ester p-toluenesulfonate salt should be stored in a cool, dry, and well-ventilated area, away from direct light. It is typically kept in tightly sealed containers to prevent moisture absorption. Storage at temperatures below 25°C is recommended to maintain stability. Avoid exposure to strong acids or bases to ensure product integrity and safety.