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BOC-N-Methyl-L-alanine

BOC-N-Methyl-L-alanine structure

CAS No:
16948-16-6
Formula:
C9H17NO4
Chemical Name:
BOC-N-Methyl-L-alanine
Synonyms:
BOC-L-MEALA-OH;BOC-N-ALPHA-METHYL-L-ALANINE;BOC-MEALA-OH;BOC-N-ME-ALANINE;BOC-N-ME-ALA-OH;BOC-N-ME-S-ALA-OH;BOC-N-METHYL-L-ALANINE;BOC-N-METHYL-L-ALA-OH
Categories:
Pharmaceutical Intermediates > Antineoplastics

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Description

White powder

BOC-N-Methyl-L-alanine Basic Attributes

Molecular Weight：

203.24

Exact Mass：

203.115753

BRN：

2366513

EC Number：

1533716-785-6

Color/Form：

White

HScode：

2924 19 00

Characteristics

PSA：

66.8

XLogP3：

1.1

Appearance：

Almost White powder

Density：

1.111±0.06 g/cm3(Predicted)

Melting Point：

88-92 °C

Boiling Point：

296.3±19.0 °C(Predicted)

Flash Point：

133.0±21.5 °C

Refractive Index：

1.467

Storage Conditions：

Store at RT.

Vapor Pressure：

0.00035mmHg at 25°C

PKA：

4.03±0.10(Predicted)

Critical Temperature & Pressure：

Keep in dark place,Sealed in dry,Room Temperature

Safety Information

Hazard category：

IRRITANT

Transport codes：

NONH for all modes of transport

wgk germany：

safety instructions：

24/25

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

BOC-N-Methyl-L-alanine Use and Manufacturing

Methods of Manufacturing

General procedure: (S)-2-(Tert-butoxycarbonyl(methyl)amino)-3-hydroxypropanoic acid(6a) Gummy substance (This compound was prepared byadding neat sodium hydride (10 equiv.) in portion wiseover a period of 2.0 h to a cooled (0 °C) solution of (S)-2-(tert-butoxycarbonylamino)-3-hydroxypropanoic acid (1equiv.) and iodomethane (10 equiv.) in dry THF under astream of nitrogen. The reaction mixture was stirred at room temperature for 24 h under nitrogen atmosphere andthen diluted with ether (20 mL) and quenched with water(30 mL). The layers were separated and the aqueous layerwas extracted with ether (2 x9 15 mL), acidified to pH 3with a 20 percent aqueous solution of citric acid and extractedwith EtOAc (3 x 20 mL). The combined organic phasewas dried over Na2SO4 and evaporated to afford thecorresponding N-methylated product in 90 percent yield asGummy substance.)

Uses

Used in peptide synthesis.

Computed Properties

Molecular Weight:203.24
XLogP3:1.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:203.11575802
Monoisotopic Mass:203.11575802
Topological Polar Surface Area:66.8
Heavy Atom Count:14
Complexity:232
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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