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Home > Encyclopedia > L-Valine, ethyl ester, hydrochloride

L-Valine, ethyl ester, hydrochloride

L-Valine, ethyl ester, hydrochloride structure

L-Valine, ethyl ester, hydrochloride 

structure
  • CAS No:

    17609-47-1

  • Formula:

    C7H15NO2.ClH

  • Chemical Name:

    L-Valine, ethyl ester, hydrochloride

  • Synonyms:

    L-Valine,ethyl ester,hydrochloride (1:1);Valine,ethyl ester,hydrochloride,L-;L-Valine,ethyl ester,hydrochloride;(S)-Valine ethyl ester hydrochloride;Valine ethyl ester hydrochloride;Ethyl L-valinate hydrochloride

  • Categories:

    Biochemical Engineering  >  Amino Acids and Derivatives

Description

white crystalline powder

L-Valine, ethyl ester, hydrochloride Basic Attributes

181.66

181.086960

241-580-7

DTXSID70170082

29224999

Characteristics

52.3

2.03510

White to off-white crystalline powder

102-104 °C @ Solvent: Benzene, Ligroine, Chloroform

212.5°C at 760 mmHg

42.7ºC

Store at RT.

0.143mmHg at 25°C

7 º (c=2, H2O)

Safety Information

NONH for all modes of transport

3

24/25

24/25

Xi

Stable under normal temperatures and pressures.

|Warning|H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501|Aggregated GHS information provided by 6 companies from 1 notifications to the ECHA C&L Inventory.

L-Valine, ethyl ester, hydrochloride Use and Manufacturing

Methods of Manufacturing

5 kg (ie 42.7 mol) of L-valine and4kg anhydrous ethanol added to50L glass reactor, stirring to dissolve, cooling to 0 ~ 10 , Slowly added dropwise 8.8L of thionyl chloride, dropping was completed, the reaction was warmed to reflux 18h, Concentrated to dry, at 15 ~ 20 ° C was added 15L isopropyl acetate beating 1h, Filtering with suction gave 6.1 kg of an off-white solid, intermediate 1, where R1 is ethyl.

Uses

Used in biochemical reagents and pharmaceutical intermediates.

Computed Properties

Molecular Weight:181.66
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:181.0869564
Monoisotopic Mass:181.0869564
Topological Polar Surface Area:52.3
Heavy Atom Count:11
Complexity:112
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes

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