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Fmoc-L-tert-leucine

Fmoc-L-tert-leucine structure

CAS No:
132684-60-7
Formula:
C21H23NO4
Chemical Name:
Fmoc-L-tert-leucine
Synonyms:
FMOC-L-TLE-OH;FMOC-L-T-BUTYLGLYCINE;FMOC-L-TERT-LEUCINE;FMOC-TLE-OH;FMOC-TBU-GLYCINE;FMOC-TBU-GLY-OH;FMOC-ALPHA-T-BUTYL-GLY-OH;FMOC-ALPHA-T-BUTYLGLYCINE
Categories:
Pharmaceutical Intermediates > Antivirals

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Description

solid

Fmoc-L-tert-leucine Basic Attributes

Molecular Weight：

353.41

Exact Mass：

353.162720

DSSTox ID：

DTXSID70359658

HScode：

29242990

Characteristics

PSA：

75.6

XLogP3：

4.4

Appearance：

White crystalline powder

Density：

1.209±0.06 g/cm3(Predicted)

Melting Point：

124-127 °C

Boiling Point：

554.1±33.0 °C(Predicted)

Flash Point：

288.9±25.4 °C

Refractive Index：

1.584

Storage Conditions：

2-8°C

Vapor Pressure：

4.12E-13mmHg at 25°C

Safety Information

Hazard category：

IRRITANT

Transport codes：

NONH for all modes of transport

wgk germany：

safety instructions：

22-24/25

Precautionary statement(s)：

P261, P264, P271, P280, P302+P352, P304+P340, P312, P321, P332+P313, P362, P403+P233, P405, P501

Hazard Statements：

H315

GHS Classification：

|Warning|H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 3 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Fmoc-L-tert-leucine Use and Manufacturing

Take 500mL of the reaction bottle, Chiral amino acids S-3b (5.1 g, 38.6 mmol) were added to the reaction flask, respectively, Dioxane (40 mL) and10percent sodium carbonate (100 mL), The reaction flask was placed in an ice bath, mechanically stirred, To the dropping funnel was added l-chloroformate-9-fluorenylmethyl ester (10.0 g, 38.6 mmol) andDioxane (100 mL), Slowly drop into the reaction flask and gradually return to room temperature and stir overnight.After completion of the reaction, add water 100mL, extracted with 50mL ether three times, take the water phase into the ice bath to cool, add 1M dilute HCl to PH 1.The aqueous solution was extracted three times with 50 mL of ethyl acetate.The oil phase was combined and dried over magnesium sulfate and filtered to dryness to give intermediate S-4b (14.3 g, 96percent).

Computed Properties

Molecular Weight:353.4
XLogP3:4.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:353.16270821
Monoisotopic Mass:353.16270821
Topological Polar Surface Area:75.6
Heavy Atom Count:26
Complexity:505
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Fmoc-L-tert-leucine

CAS No.: 132684-60-7

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