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(R)-N-Boc-(4-Pyridyl)alanine

(R)-N-Boc-(4-Pyridyl)alanine structure

CAS No:
37535-58-3
Formula:
C13H18N2O4
Chemical Name:
(R)-N-Boc-(4-Pyridyl)alanine
Synonyms:
RARECHEM BK PT 0243;(R)-2-TERT-BUTOXYCARBONYLAMINO-3-PYRIDIN-4-YL-PROPIONIC ACID;(R)-N-BOC-(4-PYRIDYL)ALANINE;N-ALPHA-T-BUTOXYCARBONYL-3-(4-PYRIDYL)-D-ALANINE;N-ALPHA-T-BOC-BETA-(4-PYRIDYL)-D-ALANINE;N-TERT-BUTOXYCARBONYL-4-PYRIDYL-D-ALANINE;BOC-(R)-2-AMINO-3-(4'-PYRIDYL)PROPANOIC ACID;BOC-BETA-(4-PYRIDYL)-D-ALANINE
Categories:
Biochemical Engineering > Amino Acids and Derivatives

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Description

white to off-white powder

(R)-N-Boc-(4-Pyridyl)alanine Basic Attributes

Molecular Weight：

266.29

Exact Mass：

266.126648

HScode：

2933399090

Characteristics

PSA：

88.5

XLogP3：

1.4

Appearance：

White Powder

Density：

1.2±0.1 g/cm3

Melting Point：

223-229 °C

Flash Point：

228.5±27.3 °C

Refractive Index：

1.530

Storage Conditions：

Store at 0-5°C

Safety Information

Hazard category：

IRRITANT

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-36

Marks：

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

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 39 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

(R)-N-Boc-(4-Pyridyl)alanine Use and Manufacturing

A suspension of platinum (IV) oxide (180 mg, 0.79 mmol) and N-Boc-3-(4-pyridyl)-D-alanine (300 mg, 0.06 mmol) and DMAP (275 mg, 2.25 mmol) were dissolved in MeOH (5 at 0C. DCC (465 mg, 2.25 mmol) was added at 0C, the mixturewas stirred at 0C for 2 hours. The reaction was warmed to room temperature and stirredovernight. The mixture was diluted with EA (30 mL), filtered and concentrated under reduced pressure. The residue was purified by column chromatography to obtain a compound A-21a.?H NIVIR (400 MHz, DMSO-d6) 5 8.46 (d, J 5.6 Hz, 2H), 7.37 (d, J 8 Hz, 1H), 7.26 (d, J 5.6 Hz, 2H), 4.29-4.23 (m, 1H), 3.63 (s, 3H), 3.06-3.01 (m, 1H), 2.89-2.83 (m, 1H), 1.31(s, 9H).El-MS m/z: 281(M?).

Computed Properties

Molecular Weight:266.29
XLogP3:1.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:6
Exact Mass:266.12665706
Monoisotopic Mass:266.12665706
Topological Polar Surface Area:88.5
Heavy Atom Count:19
Complexity:319
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of (R)-N-Boc-(4-Pyridyl)alanine

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
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(R)-N-Boc-(4-Pyridyl)alanine

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